<?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:o="http://www.iochem-bd.org/dictionary/orca/"
        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="orca.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">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.4</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
                  <list cmlx:templateRef="group">
                     <array dataType="xsd:integer" dictRef="o:group" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="5">7s6p5d1f 7s4p1d 4s1p 7s4p1d 7s4p1d</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="5">5s3p2d1f 3s2p1d 2s1p 3s2p1d 3s2p1d</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="51">1 2 2 2 2 2 2 3 3 3 3 3 3 4 2 5 2 3 2 2 2 2 2 3 3 3 3 3 2 3 3 3 4 2 2 3 3 3 5 2 3 2 2 2 2 2 3 3 3 3 3</array>
                  </list>
               </module>
               <module cmlx:templateRef="basisecp">
                  <module cmlx:templateRef="basisgroups">
                     <list cmlx:templateRef="group">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Ru</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP SD(28,MWB)</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Ru</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="basisecp">
                  <module cmlx:templateRef="basisgroups">
                     <list cmlx:templateRef="group">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Ru</scalar>
                           <scalar dataType="xsd:string" dictRef="o:ecptype">ECP SD(28,MWB)</scalar>
                        </list>
                     </list>
                  </module>
                  <module cmlx:templateRef="atombasis">
                     <list cmlx:templateRef="missingID">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">0</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:elementType">Ru</scalar>
                           <scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
                        </list>
                     </list>
                  </module>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="Ru"
                        id="a1"
                        x3="0.530413"
                        y3="-0.681173"
                        z3="1.843198"/>
                  <atom elementType="C"
                        id="a2"
                        x3="1.746106"
                        y3="-0.421876"
                        z3="3.655585"/>
                  <atom elementType="C"
                        id="a3"
                        x3="0.420997"
                        y3="-0.650079"
                        z3="4.091265"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-0.288454"
                        y3="-1.746197"
                        z3="3.551496"/>
                  <atom elementType="C"
                        id="a5"
                        x3="0.330684"
                        y3="-2.646427"
                        z3="2.640718"/>
                  <atom elementType="C"
                        id="a6"
                        x3="2.401256"
                        y3="-1.331443"
                        z3="2.777597"/>
                  <atom elementType="C"
                        id="a7"
                        x3="1.695433"
                        y3="-2.448752"
                        z3="2.285238"/>
                  <atom elementType="H"
                        id="a8"
                        x3="2.268996"
                        y3="0.485596"
                        z3="3.967932"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-0.078055"
                        y3="0.060224"
                        z3="4.752437"/>
                  <atom elementType="H"
                        id="a10"
                        x3="-1.353934"
                        y3="-1.855762"
                        z3="3.767792"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-0.240326"
                        y3="-3.46558"
                        z3="2.200625"/>
                  <atom elementType="H"
                        id="a12"
                        x3="3.421099"
                        y3="-1.131249"
                        z3="2.443523"/>
                  <atom elementType="H"
                        id="a13"
                        x3="2.163368"
                        y3="-3.111074"
                        z3="1.554657"/>
                  <atom elementType="O"
                        id="a14"
                        x3="-1.363873"
                        y3="-0.00717"
                        z3="1.366141"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-2.136576"
                        y3="-0.327361"
                        z3="0.432977"/>
                  <atom elementType="N"
                        id="a16"
                        x3="-1.739827"
                        y3="-1.003718"
                        z3="-0.645596"/>
                  <atom elementType="C"
                        id="a17"
                        x3="-0.442116"
                        y3="-1.392524"
                        z3="-1.019419"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.465227"
                        y3="-1.22405"
                        z3="-1.32017"/>
                  <atom elementType="C"
                        id="a19"
                        x3="-0.332722"
                        y3="-2.072204"
                        z3="-2.236808"/>
                  <atom elementType="C"
                        id="a20"
                        x3="0.914477"
                        y3="-2.451236"
                        z3="-2.716384"/>
                  <atom elementType="C"
                        id="a21"
                        x3="2.069096"
                        y3="-2.145218"
                        z3="-1.992168"/>
                  <atom elementType="C"
                        id="a22"
                        x3="1.949522"
                        y3="-1.491542"
                        z3="-0.773431"/>
                  <atom elementType="C"
                        id="a23"
                        x3="0.700055"
                        y3="-1.100362"
                        z3="-0.235816"/>
                  <atom elementType="H"
                        id="a24"
                        x3="0.892259"
                        y3="0.35375"
                        z3="0.025058"/>
                  <atom elementType="H"
                        id="a25"
                        x3="-1.229629"
                        y3="-2.301914"
                        z3="-2.818184"/>
                  <atom elementType="H"
                        id="a26"
                        x3="0.985707"
                        y3="-2.982566"
                        z3="-3.668558"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.052545"
                        y3="-2.424453"
                        z3="-2.377176"/>
                  <atom elementType="H"
                        id="a28"
                        x3="2.85937"
                        y3="-1.247164"
                        z3="-0.218128"/>
                  <atom elementType="C"
                        id="a29"
                        x3="-3.57414"
                        y3="0.055337"
                        z3="0.534879"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-4.027697"
                        y3="-0.480916"
                        z3="1.382732"/>
                  <atom elementType="H"
                        id="a31"
                        x3="-4.147984"
                        y3="-0.161879"
                        z3="-0.374508"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-3.64436"
                        y3="1.127863"
                        z3="0.765981"/>
                  <atom elementType="O"
                        id="a33"
                        x3="1.100707"
                        y3="1.249735"
                        z3="0.731692"/>
                  <atom elementType="C"
                        id="a34"
                        x3="0.46153"
                        y3="2.370056"
                        z3="0.742269"/>
                  <atom elementType="C"
                        id="a35"
                        x3="0.493625"
                        y3="3.17494"
                        z3="1.985783"/>
                  <atom elementType="H"
                        id="a36"
                        x3="1.540318"
                        y3="3.426333"
                        z3="2.21751"/>
                  <atom elementType="H"
                        id="a37"
                        x3="0.102855"
                        y3="2.569706"
                        z3="2.817278"/>
                  <atom elementType="H"
                        id="a38"
                        x3="-0.08521"
                        y3="4.103077"
                        z3="1.904816"/>
                  <atom elementType="N"
                        id="a39"
                        x3="-0.165453"
                        y3="2.808766"
                        z3="-0.32223"/>
                  <atom elementType="C"
                        id="a40"
                        x3="-0.250564"
                        y3="2.177384"
                        z3="-1.603117"/>
                  <atom elementType="H"
                        id="a41"
                        x3="-0.637285"
                        y3="3.706667"
                        z3="-0.226313"/>
                  <atom elementType="C"
                        id="a42"
                        x3="0.904219"
                        y3="1.73333"
                        z3="-2.250207"/>
                  <atom elementType="C"
                        id="a43"
                        x3="-1.505631"
                        y3="2.068647"
                        z3="-2.204094"/>
                  <atom elementType="C"
                        id="a44"
                        x3="-1.604208"
                        y3="1.486984"
                        z3="-3.465926"/>
                  <atom elementType="C"
                        id="a45"
                        x3="-0.459607"
                        y3="1.021791"
                        z3="-4.113685"/>
                  <atom elementType="C"
                        id="a46"
                        x3="0.790067"
                        y3="1.147794"
                        z3="-3.507684"/>
                  <atom elementType="H"
                        id="a47"
                        x3="1.88657"
                        y3="1.869513"
                        z3="-1.794218"/>
                  <atom elementType="H"
                        id="a48"
                        x3="-2.395879"
                        y3="2.454199"
                        z3="-1.700639"/>
                  <atom elementType="H"
                        id="a49"
                        x3="-2.57802"
                        y3="1.418176"
                        z3="-3.955502"/>
                  <atom elementType="H"
                        id="a50"
                        x3="-0.539132"
                        y3="0.581014"
                        z3="-5.10976"/>
                  <atom elementType="H"
                        id="a51"
                        x3="1.68949"
                        y3="0.81212"
                        z3="-4.026989"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a7" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a13" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a44 a49" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
               </bondArray>
               <formula concise="C22H24N2O2Ru">
                  <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">425.3175999999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5304,-.6812,1.8432;1.7461,-.4219,3.6556;.421,-.6501,4.0913;-.2885,-1.7462,3.5515;.3307,-2.6464,2.6407;2.4013,-1.3314,2.7776;1.6954,-2.4488,2.2852;2.269,.4856,3.9679;-.0781,.0602,4.7524;-1.3539,-1.8558,3.7678;-.2403,-3.4656,2.2006;3.4211,-1.1312,2.4435;2.1634,-3.1111,1.5547;-1.3639,-.0072,1.3661;-2.1366,-.3274,.433;-1.7398,-1.0037,-.6456;-.4421,-1.3925,-1.0194;-2.4652,-1.2241,-1.3202;-.3327,-2.0722,-2.2368;.9145,-2.4512,-2.7164;2.0691,-2.1452,-1.9922;1.9495,-1.4915,-.7734;.7001,-1.1004,-.2358;.8923,.3538,.0251;-1.2296,-2.3019,-2.8182;.9857,-2.9826,-3.6686;3.0525,-2.4245,-2.3772;2.8594,-1.2472,-.2181;-3.5741,.0553,.5349;-4.0277,-.4809,1.3827;-4.148,-.1619,-.3745;-3.6444,1.1279,.766;1.1007,1.2497,.7317;.4615,2.3701,.7423;.4936,3.1749,1.9858;1.5403,3.4263,2.2175;.1029,2.5697,2.8173;-.0852,4.1031,1.9048;-.1655,2.8088,-.3222;-.2506,2.1774,-1.6031;-.6373,3.7067,-.2263;.9042,1.7333,-2.2502;-1.5056,2.0686,-2.2041;-1.6042,1.487,-3.4659;-.4596,1.0218,-4.1137;.7901,1.1478,-3.5077;1.8866,1.8695,-1.7942;-2.3959,2.4542,-1.7006;-2.578,1.4182,-3.9555;-.5391,.581,-5.1098;1.6895,.8121,-4.027;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE kappa parameter   XKappa</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XMuePBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.219520</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE beta parameter  CBetaPBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.066725</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.250000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.750000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.900000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1627</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">dhs_Ru_CH_activation_reoptTS</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">515</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2888.6120634873 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.116e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.059 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.020 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.081 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE kappa parameter   XKappa</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">XMuePBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.219520</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PBE beta parameter  CBetaPBE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.066725</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.250000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.750000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.900000</scalar>
                     </list>
                     <scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1627</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">RIJ-COSX (HFX calculated with COS-X))</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="General Settings">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">IntName</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">dhs_Ru_CH_activation_reoptTS</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">HFTyp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">RHF</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Charge</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Mult</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NEL</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">200</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">515</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2888.3279443620 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5.000e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.114e-04</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.040 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.022 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.064 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <array dataType="xsd:string" dictRef="cc:keywords" size="9">OptTS TightOpt PBE0 D3BJ def2-SVP def2/J TightSCF defgrid3 RIJCOSX</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">recalc_hess 10</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">inhess read</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">inhessname "dhs_Ru_CH_activation_freq_high_sp_Compound_1.hess"</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Trust -0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">MaxIter 200</scalar>
                     </module>
                     <module cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="o:basisparameter" size="6">%basis newECP Ru "SDD" end end</array>
                     </module>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefined" id="otherComponents">
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.526964"
                              y3="-0.683187"
                              z3="1.843282"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.749698"
                              y3="-0.424347"
                              z3="3.649486"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.42599"
                              y3="-0.650567"
                              z3="4.091515"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.286823"
                              y3="-1.74636"
                              z3="3.556335"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.327077"
                              y3="-2.647654"
                              z3="2.642813"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.400298"
                              y3="-1.335682"
                              z3="2.770262"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.690467"
                              y3="-2.452169"
                              z3="2.281309"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.274752"
                              y3="0.483127"
                              z3="3.958242"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-0.069378"
                              y3="0.060965"
                              z3="4.754145"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.351439"
                              y3="-1.854499"
                              z3="3.777545"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.246886"
                              y3="-3.466346"
                              z3="2.205643"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.419076"
                              y3="-1.137119"
                              z3="2.432038"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.154115"
                              y3="-3.115388"
                              z3="1.54874"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.368974"
                              y3="-0.013298"
                              z3="1.367878"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.140452"
                              y3="-0.331889"
                              z3="0.433204"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.741823"
                              y3="-1.004855"
                              z3="-0.646957"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.44335"
                              y3="-1.391137"
                              z3="-1.020594"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.466487"
                              y3="-1.225017"
                              z3="-1.3224"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.332554"
                              y3="-2.071433"
                              z3="-2.237541"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.915413"
                              y3="-2.448233"
                              z3="-2.716856"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.069455"
                              y3="-2.139087"
                              z3="-1.993035"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.948547"
                              y3="-1.484863"
                              z3="-0.774797"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.698257"
                              y3="-1.096077"
                              z3="-0.237227"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.886599"
                              y3="0.3572"
                              z3="0.026854"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.229078"
                              y3="-2.303516"
                              z3="-2.818648"/>
                        <atom elementType="H"
                              id="a26"
                              x3="0.987754"
                              y3="-2.980157"
                              z3="-3.668546"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.053433"
                              y3="-2.416297"
                              z3="-2.377868"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.857937"
                              y3="-1.238283"
                              z3="-0.219633"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.578737"
                              y3="0.0482"
                              z3="0.534973"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.032448"
                              y3="-0.492517"
                              z3="1.379925"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.151076"
                              y3="-0.166075"
                              z3="-0.376022"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.651007"
                              y3="1.119565"
                              z3="0.770598"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.09168"
                              y3="1.251113"
                              z3="0.738961"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.460912"
                              y3="2.375896"
                              z3="0.743551"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.491395"
                              y3="3.182056"
                              z3="1.986241"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.538516"
                              y3="3.424341"
                              z3="2.225658"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.089624"
                              y3="2.580107"
                              z3="2.814893"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.079227"
                              y3="4.114812"
                              z3="1.900805"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.157903"
                              y3="2.816586"
                              z3="-0.32488"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.244799"
                              y3="2.179709"
                              z3="-1.603025"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.623301"
                              y3="3.718329"
                              z3="-0.233783"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.909078"
                              y3="1.732937"
                              z3="-2.249893"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.500681"
                              y3="2.069294"
                              z3="-2.201965"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.601112"
                              y3="1.483524"
                              z3="-3.461724"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.457422"
                              y3="1.015933"
                              z3="-4.109398"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.79311"
                              y3="1.143307"
                              z3="-3.505299"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.891981"
                              y3="1.870227"
                              z3="-1.795281"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.390043"
                              y3="2.456912"
                              z3="-1.69846"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.57559"
                              y3="1.41349"
                              z3="-3.949883"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.538373"
                              y3="0.572068"
                              z3="-5.10399"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.69169"
                              y3="0.805461"
                              z3="-4.024722"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.527,-.6832,1.8433;1.7497,-.4243,3.6495;.426,-.6506,4.0915;-.2868,-1.7464,3.5563;.3271,-2.6477,2.6428;2.4003,-1.3357,2.7703;1.6905,-2.4522,2.2813;2.2748,.4831,3.9582;-.0694,.061,4.7541;-1.3514,-1.8545,3.7775;-.2469,-3.4663,2.2056;3.4191,-1.1371,2.432;2.1541,-3.1154,1.5487;-1.369,-.0133,1.3679;-2.1405,-.3319,.4332;-1.7418,-1.0049,-.647;-.4434,-1.3911,-1.0206;-2.4665,-1.225,-1.3224;-.3326,-2.0714,-2.2375;.9154,-2.4482,-2.7169;2.0695,-2.1391,-1.993;1.9485,-1.4849,-.7748;.6983,-1.0961,-.2372;.8866,.3572,.0269;-1.2291,-2.3035,-2.8186;.9878,-2.9802,-3.6685;3.0534,-2.4163,-2.3779;2.8579,-1.2383,-.2196;-3.5787,.0482,.535;-4.0324,-.4925,1.3799;-4.1511,-.1661,-.376;-3.651,1.1196,.7706;1.0917,1.2511,.739;.4609,2.3759,.7436;.4914,3.1821,1.9862;1.5385,3.4243,2.2257;.0896,2.5801,2.8149;-.0792,4.1148,1.9008;-.1579,2.8166,-.3249;-.2448,2.1797,-1.603;-.6233,3.7183,-.2338;.9091,1.7329,-2.2499;-1.5007,2.0693,-2.202;-1.6011,1.4835,-3.4617;-.4574,1.0159,-4.1094;.7931,1.1433,-3.5053;1.892,1.8702,-1.7953;-2.39,2.4569,-1.6985;-2.5756,1.4135,-3.9499;-.5384,.5721,-5.104;1.6917,.8055,-4.0247;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.523523"
                              y3="-0.685347"
                              z3="1.843578"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.75308"
                              y3="-0.426969"
                              z3="3.643766"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.430832"
                              y3="-0.651648"
                              z3="4.091996"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.285022"
                              y3="-1.747149"
                              z3="3.561113"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.32393"
                              y3="-2.649205"
                              z3="2.644785"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.399418"
                              y3="-1.339742"
                              z3="2.763191"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.68592"
                              y3="-2.455515"
                              z3="2.27743"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.280046"
                              y3="0.480561"
                              z3="3.949141"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-0.061085"
                              y3="0.060879"
                              z3="4.756137"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.348744"
                              y3="-1.854174"
                              z3="3.787121"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.25275"
                              y3="-3.467489"
                              z3="2.210361"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.417081"
                              y3="-1.142494"
                              z3="2.420907"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.145478"
                              y3="-3.119414"
                              z3="1.542832"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.374021"
                              y3="-0.019586"
                              z3="1.369877"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.144155"
                              y3="-0.336085"
                              z3="0.433438"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.743657"
                              y3="-1.005536"
                              z3="-0.648377"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.444482"
                              y3="-1.389567"
                              z3="-1.021704"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.467521"
                              y3="-1.225096"
                              z3="-1.324898"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.332263"
                              y3="-2.070357"
                              z3="-2.238277"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.916472"
                              y3="-2.444988"
                              z3="-2.717268"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.069905"
                              y3="-2.132911"
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                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
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                        <bond atomRefs2="a42 a46" order="S"/>
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                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5208,-.6872,1.844;1.7572,-.4296,3.6382;.4362,-.6514,4.0926;-.2837,-1.7461,3.5665;.3196,-2.6498,2.6478;2.3985,-1.3448,2.7568;1.6804,-2.4594,2.2747;2.2869,.4776,3.9398;-.0516,.0629,4.758;-1.3466,-1.8509,3.7973;-.2605,-3.4673,2.2164;3.4153,-1.1501,2.4106;2.1353,-3.1248,1.5385;-1.378,-.0251,1.3713;-2.1468,-.3398,.4331;-1.7444,-1.0062,-.65;-.4446,-1.3885,-1.0227;-2.4674,-1.2252,-1.3277;-.3308,-2.0694,-2.2391;.9187,-2.4422,-2.7175;2.0714,-2.128,-1.9936;1.9476,-1.4733,-.7761;.6957,-1.0887,-.2391;.8764,.363,.0306;-1.2264,-2.3052,-2.8203;.9934,-2.9748,-3.6685;3.0564,-2.4016,-2.3778;2.856,-1.2231,-.2207;-3.5863,.0361,.5339;-4.0415,-.5147,1.3715;-4.1549,-.1702,-.3812;-3.662,1.1047,.7804;1.0752,1.2537,.7518;.4592,2.386,.7457;.4871,3.1951,1.9866;1.5347,3.4213,2.2393;.066,2.5998,2.8104;-.0687,4.1359,1.8929;-.1454,2.8297,-.3296;-.2357,2.1833,-1.6028;-.5993,3.7381,-.247;.9164,1.7317,-2.2495;-1.4931,2.0703,-2.1981;-1.5969,1.4777,-3.4544;-.455,1.0059,-4.1021;.7971,1.1352,-3.5014;1.9003,1.8705,-1.7973;-2.3808,2.4615,-1.6944;-2.5726,1.4058,-3.94;-.5386,.557,-5.0942;1.6941,.7934,-4.021;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.518448"
                              y3="-0.688726"
                              z3="1.844278"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.761672"
                              y3="-0.432219"
                              z3="3.63266"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.44178"
                              y3="-0.650212"
                              z3="4.093232"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.282667"
                              y3="-1.743802"
                              z3="3.571986"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.31451"
                              y3="-2.649733"
                              z3="2.651178"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.3976"
                              y3="-1.350412"
                              z3="2.750852"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.674266"
                              y3="-2.463531"
                              z3="2.27254"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.2946"
                              y3="0.474353"
                              z3="3.930513"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-0.04146"
                              y3="0.066158"
                              z3="4.759622"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.344836"
                              y3="-1.845854"
                              z3="3.807403"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.269436"
                              y3="-3.466182"
                              z3="2.222961"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.413663"
                              y3="-1.158828"
                              z3="2.400772"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.124311"
                              y3="-3.130827"
                              z3="1.535039"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.381353"
                              y3="-0.029985"
                              z3="1.372118"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148697"
                              y3="-0.34323"
                              z3="0.432362"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.744485"
                              y3="-1.007041"
                              z3="-0.651753"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.44398"
                              y3="-1.387662"
                              z3="-1.023669"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.466586"
                              y3="-1.225457"
                              z3="-1.330555"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.328668"
                              y3="-2.068587"
                              z3="-2.239933"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.921565"
                              y3="-2.4398"
                              z3="-2.717602"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.07349"
                              y3="-2.123857"
                              z3="-1.993249"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.94822"
                              y3="-1.469122"
                              z3="-0.77592"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.695458"
                              y3="-1.08626"
                              z3="-0.239506"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.873083"
                              y3="0.365108"
                              z3="0.032231"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.223659"
                              y3="-2.305738"
                              z3="-2.821528"/>
                        <atom elementType="H"
                              id="a26"
                              x3="0.997517"
                              y3="-2.97243"
                              z3="-3.668472"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.059095"
                              y3="-2.396043"
                              z3="-2.376886"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.85594"
                              y3="-1.21769"
                              z3="-0.220051"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.588715"
                              y3="0.030915"
                              z3="0.532327"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.044894"
                              y3="-0.524138"
                              z3="1.366667"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.155517"
                              y3="-0.171907"
                              z3="-0.384663"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.665948"
                              y3="1.098268"
                              z3="0.783546"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.06929"
                              y3="1.25481"
                              z3="0.756277"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.45811"
                              y3="2.389563"
                              z3="0.746673"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.485284"
                              y3="3.199684"
                              z3="1.986819"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.532963"
                              y3="3.420856"
                              z3="2.243692"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.058036"
                              y3="2.606735"
                              z3="2.809241"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.06571"
                              y3="4.142996"
                              z3="1.890419"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.141901"
                              y3="2.834189"
                              z3="-0.330819"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.233359"
                              y3="2.184707"
                              z3="-1.602549"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.59196"
                              y3="3.744721"
                              z3="-0.251038"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.918191"
                              y3="1.731598"
                              z3="-2.249216"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.491241"
                              y3="2.070892"
                              z3="-2.196581"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.596299"
                              y3="1.476204"
                              z3="-3.451727"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.454918"
                              y3="1.003129"
                              z3="-4.099574"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.797686"
                              y3="1.133029"
                              z3="-3.499983"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.902437"
                              y3="1.870912"
                              z3="-1.797836"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.378394"
                              y3="2.463221"
                              z3="-1.692674"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.572403"
                              y3="1.403778"
                              z3="-3.936462"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.539399"
                              y3="0.552627"
                              z3="-5.090899"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.69413"
                              y3="0.789928"
                              z3="-4.019792"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5184,-.6887,1.8443;1.7617,-.4322,3.6327;.4418,-.6502,4.0932;-.2827,-1.7438,3.572;.3145,-2.6497,2.6512;2.3976,-1.3504,2.7509;1.6743,-2.4635,2.2725;2.2946,.4744,3.9305;-.0415,.0662,4.7596;-1.3448,-1.8459,3.8074;-.2694,-3.4662,2.223;3.4137,-1.1588,2.4008;2.1243,-3.1308,1.535;-1.3814,-.03,1.3721;-2.1487,-.3432,.4324;-1.7445,-1.007,-.6518;-.444,-1.3877,-1.0237;-2.4666,-1.2255,-1.3306;-.3287,-2.0686,-2.2399;.9216,-2.4398,-2.7176;2.0735,-2.1239,-1.9932;1.9482,-1.4691,-.7759;.6955,-1.0863,-.2395;.8731,.3651,.0322;-1.2237,-2.3057,-2.8215;.9975,-2.9724,-3.6685;3.0591,-2.396,-2.3769;2.8559,-1.2177,-.2201;-3.5887,.0309,.5323;-4.0449,-.5241,1.3667;-4.1555,-.1719,-.3847;-3.6659,1.0983,.7835;1.0693,1.2548,.7563;.4581,2.3896,.7467;.4853,3.1997,1.9868;1.533,3.4209,2.2437;.058,2.6067,2.8092;-.0657,4.143,1.8904;-.1419,2.8342,-.3308;-.2334,2.1847,-1.6025;-.592,3.7447,-.251;.9182,1.7316,-2.2492;-1.4912,2.0709,-2.1966;-1.5963,1.4762,-3.4517;-.4549,1.0031,-4.0996;.7977,1.133,-3.5;1.9024,1.8709,-1.7978;-2.3784,2.4632,-1.6927;-2.5724,1.4038,-3.9365;-.5394,.5526,-5.0909;1.6941,.7899,-4.0198;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.516454"
                              y3="-0.690024"
                              z3="1.844529"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.766334"
                              y3="-0.434817"
                              z3="3.627218"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.447462"
                              y3="-0.648532"
                              z3="4.093762"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.281879"
                              y3="-1.74077"
                              z3="3.577472"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.309004"
                              y3="-2.649209"
                              z3="2.654779"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.396625"
                              y3="-1.356314"
                              z3="2.745184"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.667794"
                              y3="-2.467737"
                              z3="2.270758"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.302766"
                              y3="0.470951"
                              z3="3.921229"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-0.031038"
                              y3="0.070193"
                              z3="4.761041"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.343335"
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                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="-0.691145"
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                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5147,-.6911,1.8447;1.7711,-.4374,3.6218;.4532,-.6465,4.0942;-.2812,-1.7372,3.5829;.3032,-2.6484,2.6585;2.3956,-1.3624,2.7397;1.6611,-2.472,2.2692;2.3112,.4674,3.912;-.0204,.0747,4.7623;-1.342,-1.8326,3.8273;-.2889,-3.4622,2.2367;3.4105,-1.1783,2.3823;2.101,-3.1438,1.5296;-1.3867,-.0383,1.3728;-2.1514,-.3493,.4303;-1.7436,-1.0089,-.6553;-.4419,-1.3866,-1.0255;-2.464,-1.2266,-1.3362;-.3235,-2.0674,-2.2416;.9282,-2.4358,-2.7177;2.0785,-2.1169,-1.992;1.9503,-1.4623,-.775;.6959,-1.0824,-.24;.8681,.3685,.0351;-1.2173,-2.3068,-2.8241;1.0066,-2.9684,-3.6683;3.0652,-2.3866,-2.3745;2.8568,-1.2087,-.2181;-3.5923,.0216,.5284;-4.0502,-.5407,1.357;-4.1558,-.1754,-.3919;-3.6724,1.0868,.7875;1.0598,1.2569,.7632;.4557,2.3951,.7485;.4818,3.2068,1.9876;1.5295,3.4208,2.2505;.0458,2.6173,2.808;-.0623,4.1537,1.8873;-.1376,2.841,-.3322;-.2307,2.1872,-1.6017;-.582,3.7546,-.2565;.92,1.7321,-2.2485;-1.4893,2.072,-2.1938;-1.5961,1.4742,-3.4473;-.4556,.9995,-4.0954;.7978,1.1304,-3.4976;1.9048,1.8722,-1.7984;-2.3757,2.4658,-1.6896;-2.5729,1.4009,-3.9307;-.5414,.5467,-5.0856;1.6935,.7856,-4.0177;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.513124"
                              y3="-0.692116"
                              z3="1.844871"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.775998"
                              y3="-0.439969"
                              z3="3.616502"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.459032"
                              y3="-0.644163"
                              z3="4.094621"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.280644"
                              y3="-1.733236"
                              z3="3.588318"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.297285"
                              y3="-2.647234"
                              z3="2.66231"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.394587"
                              y3="-1.368613"
                              z3="2.734442"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.654254"
                              y3="-2.47621"
                              z3="2.267892"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.319934"
                              y3="0.463795"
                              z3="3.902824"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-0.009618"
                              y3="0.079671"
                              z3="4.76338"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.340706"
                              y3="-1.82497"
                              z3="3.837101"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.299185"
                              y3="-3.459663"
                              z3="2.243722"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.408926"
                              y3="-1.188638"
                              z3="2.373494"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.088982"
                              y3="-3.150445"
                              z3="1.527418"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.388846"
                              y3="-0.041841"
                              z3="1.372882"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.152299"
                              y3="-0.352107"
                              z3="0.429023"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.742909"
                              y3="-1.009821"
                              z3="-0.657044"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.440505"
                              y3="-1.386251"
                              z3="-1.026377"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.46244"
                              y3="-1.227298"
                              z3="-1.338895"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.320631"
                              y3="-2.066993"
                              z3="-2.242362"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.931703"
                              y3="-2.433995"
                              z3="-2.717669"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.081271"
                              y3="-2.113773"
                              z3="-1.99136"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.951571"
                              y3="-1.459277"
                              z3="-0.774473"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.696489"
                              y3="-1.080756"
                              z3="-0.240209"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.866207"
                              y3="0.369987"
                              z3="0.036305"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.213834"
                              y3="-2.307366"
                              z3="-2.825458"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.011262"
                              y3="-2.966594"
                              z3="-3.668198"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.06846"
                              y3="-2.382401"
                              z3="-2.373163"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.85743"
                              y3="-1.204813"
                              z3="-0.216925"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.593728"
                              y3="0.017363"
                              z3="0.526241"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.052328"
                              y3="-0.548137"
                              z3="1.352257"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.155578"
                              y3="-0.177176"
                              z3="-0.395552"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.675088"
                              y3="1.081626"
                              z3="0.788714"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.055803"
                              y3="1.257901"
                              z3="0.766066"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.454382"
                              y3="2.397345"
                              z3="0.749411"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.480015"
                              y3="3.209682"
                              z3="1.988149"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.527691"
                              y3="3.420955"
                              z3="2.253251"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.040811"
                              y3="2.621461"
                              z3="2.807686"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.061536"
                              y3="4.157833"
                              z3="1.886372"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.13626"
                              y3="2.84376"
                              z3="-0.332536"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.229988"
                              y3="2.188275"
                              z3="-1.601148"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.578615"
                              y3="3.758515"
                              z3="-0.258314"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.920418"
                              y3="1.732529"
                              z3="-2.248022"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.488938"
                              y3="2.072428"
                              z3="-2.192493"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.596336"
                              y3="1.473533"
                              z3="-3.445426"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.456076"
                              y3="0.99824"
                              z3="-4.093656"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.797618"
                              y3="1.129702"
                              z3="-3.496534"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.905376"
                              y3="1.873081"
                              z3="-1.798451"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.375022"
                              y3="2.466686"
                              z3="-1.688149"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.573322"
                              y3="1.399701"
                              z3="-3.928258"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.54234"
                              y3="0.544601"
                              z3="-5.083405"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.692999"
                              y3="0.784296"
                              z3="-4.016706"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5131,-.6921,1.8449;1.776,-.44,3.6165;.459,-.6442,4.0946;-.2806,-1.7332,3.5883;.2973,-2.6472,2.6623;2.3946,-1.3686,2.7344;1.6543,-2.4762,2.2679;2.3199,.4638,3.9028;-.0096,.0797,4.7634;-1.3407,-1.825,3.8371;-.2992,-3.4597,2.2437;3.4089,-1.1886,2.3735;2.089,-3.1504,1.5274;-1.3888,-.0418,1.3729;-2.1523,-.3521,.429;-1.7429,-1.0098,-.657;-.4405,-1.3863,-1.0264;-2.4624,-1.2273,-1.3389;-.3206,-2.067,-2.2424;.9317,-2.434,-2.7177;2.0813,-2.1138,-1.9914;1.9516,-1.4593,-.7745;.6965,-1.0808,-.2402;.8662,.37,.0363;-1.2138,-2.3074,-2.8255;1.0113,-2.9666,-3.6682;3.0685,-2.3824,-2.3732;2.8574,-1.2048,-.2169;-3.5937,.0174,.5262;-4.0523,-.5481,1.3523;-4.1556,-.1772,-.3956;-3.6751,1.0816,.7887;1.0558,1.2579,.7661;.4544,2.3973,.7494;.48,3.2097,1.9881;1.5277,3.421,2.2533;.0408,2.6215,2.8077;-.0615,4.1578,1.8864;-.1363,2.8438,-.3325;-.23,2.1883,-1.6011;-.5786,3.7585,-.2583;.9204,1.7325,-2.248;-1.4889,2.0724,-2.1925;-1.5963,1.4735,-3.4454;-.4561,.9982,-4.0937;.7976,1.1297,-3.4965;1.9054,1.8731,-1.7985;-2.375,2.4667,-1.6881;-2.5733,1.3997,-3.9283;-.5423,.5446,-5.0834;1.693,.7843,-4.0167;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.511703"
                              y3="-0.692968"
                              z3="1.844969"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.780922"
                              y3="-0.44253"
                              z3="3.611217"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.464871"
                              y3="-0.641624"
                              z3="4.09495"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.280138"
                              y3="-1.728942"
                              z3="3.593651"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.291201"
                              y3="-2.645894"
                              z3="2.666168"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.393517"
                              y3="-1.374913"
                              z3="2.729301"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.647285"
                              y3="-2.480429"
                              z3="2.266711"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.328772"
                              y3="0.460077"
                              z3="3.893713"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.001264"
                              y3="0.084888"
                              z3="4.764326"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.339503"
                              y3="-1.816869"
                              z3="3.846734"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.309615"
                              y3="-3.456786"
                              z3="2.250804"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.407353"
                              y3="-1.19921"
                              z3="2.364892"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.076806"
                              y3="-3.157185"
                              z3="1.525471"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.390812"
                              y3="-0.045148"
                              z3="1.372768"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.15306"
                              y3="-0.354746"
                              z3="0.427726"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.742054"
                              y3="-1.010813"
                              z3="-0.658768"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.439043"
                              y3="-1.385963"
                              z3="-1.027233"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.460772"
                              y3="-1.228134"
                              z3="-1.341531"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.317712"
                              y3="-2.066607"
                              z3="-2.243143"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.935283"
                              y3="-2.432339"
                              z3="-2.717659"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.084082"
                              y3="-2.110885"
                              z3="-1.990654"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.952967"
                              y3="-1.456495"
                              z3="-0.773887"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.69716"
                              y3="-1.07927"
                              z3="-0.240369"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.864563"
                              y3="0.371347"
                              z3="0.037458"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.210327"
                              y3="-2.307915"
                              z3="-2.826769"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.015989"
                              y3="-2.964893"
                              z3="-3.668104"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.071773"
                              y3="-2.378462"
                              z3="-2.371836"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.858222"
                              y3="-1.20115"
                              z3="-0.215763"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.594921"
                              y3="0.013292"
                              z3="0.524006"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.054218"
                              y3="-0.55511"
                              z3="1.347657"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.155279"
                              y3="-0.179019"
                              z3="-0.399157"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.677561"
                              y3="1.076675"
                              z3="0.789551"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.05225"
                              y3="1.25885"
                              z3="0.768608"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.45306"
                              y3="2.399336"
                              z3="0.750312"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.47826"
                              y3="3.212173"
                              z3="1.988737"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.525892"
                              y3="3.421261"
                              z3="2.255742"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.03637"
                              y3="2.625007"
                              z3="2.80759"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.061191"
                              y3="4.161376"
                              z3="1.88574"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.135372"
                              y3="2.846156"
                              z3="-0.332681"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.22957"
                              y3="2.189293"
                              z3="-1.600575"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.575964"
                              y3="3.761861"
                              z3="-0.259748"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.920615"
                              y3="1.733095"
                              z3="-2.24753"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.488766"
                              y3="2.072806"
                              z3="-2.191262"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.596657"
                              y3="1.472929"
                              z3="-3.443681"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.45661"
                              y3="0.997278"
                              z3="-4.09203"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.797334"
                              y3="1.129269"
                              z3="-3.495515"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.905731"
                              y3="1.874061"
                              z3="-1.798402"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.37464"
                              y3="2.467388"
                              z3="-1.68679"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.573851"
                              y3="1.398644"
                              z3="-3.926044"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.543251"
                              y3="0.542904"
                              z3="-5.081411"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.692499"
                              y3="0.783441"
                              z3="-4.015789"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5117,-.693,1.845;1.7809,-.4425,3.6112;.4649,-.6416,4.0949;-.2801,-1.7289,3.5937;.2912,-2.6459,2.6662;2.3935,-1.3749,2.7293;1.6473,-2.4804,2.2667;2.3288,.4601,3.8937;.0013,.0849,4.7643;-1.3395,-1.8169,3.8467;-.3096,-3.4568,2.2508;3.4074,-1.1992,2.3649;2.0768,-3.1572,1.5255;-1.3908,-.0451,1.3728;-2.1531,-.3547,.4277;-1.7421,-1.0108,-.6588;-.439,-1.386,-1.0272;-2.4608,-1.2281,-1.3415;-.3177,-2.0666,-2.2431;.9353,-2.4323,-2.7177;2.0841,-2.1109,-1.9907;1.953,-1.4565,-.7739;.6972,-1.0793,-.2404;.8646,.3713,.0375;-1.2103,-2.3079,-2.8268;1.016,-2.9649,-3.6681;3.0718,-2.3785,-2.3718;2.8582,-1.2011,-.2158;-3.5949,.0133,.524;-4.0542,-.5551,1.3477;-4.1553,-.179,-.3992;-3.6776,1.0767,.7896;1.0522,1.2589,.7686;.4531,2.3993,.7503;.4783,3.2122,1.9887;1.5259,3.4213,2.2557;.0364,2.625,2.8076;-.0612,4.1614,1.8857;-.1354,2.8462,-.3327;-.2296,2.1893,-1.6006;-.576,3.7619,-.2597;.9206,1.7331,-2.2475;-1.4888,2.0728,-2.1913;-1.5967,1.4729,-3.4437;-.4566,.9973,-4.092;.7973,1.1293,-3.4955;1.9057,1.8741,-1.7984;-2.3746,2.4674,-1.6868;-2.5739,1.3986,-3.926;-.5433,.5429,-5.0814;1.6925,.7834,-4.0158;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.510412"
                              y3="-0.693711"
                              z3="1.84502"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.78588"
                              y3="-0.445089"
                              z3="3.605975"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.470729"
                              y3="-0.638903"
                              z3="4.095212"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.27969"
                              y3="-1.724367"
                              z3="3.598913"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.285003"
                              y3="-2.644358"
                              z3="2.670063"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.392405"
                              y3="-1.381287"
                              z3="2.724287"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.640206"
                              y3="-2.484625"
                              z3="2.265661"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.337721"
                              y3="0.456272"
                              z3="3.884661"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.012219"
                              y3="0.090344"
                              z3="4.765132"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.338355"
                              y3="-1.808358"
                              z3="3.856227"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.320209"
                              y3="-3.453636"
                              z3="2.257921"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.405757"
                              y3="-1.209997"
                              z3="2.356487"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.064494"
                              y3="-3.163962"
                              z3="1.523743"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.392581"
                              y3="-0.048194"
                              z3="1.37251"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.153669"
                              y3="-0.357266"
                              z3="0.426366"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.741093"
                              y3="-1.011841"
                              z3="-0.660468"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.437486"
                              y3="-1.385739"
                              z3="-1.028075"/>
                        <atom elementType="H"
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                              x3="-2.459021"
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                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5092,-.6944,1.845;1.7909,-.4476,3.6008;.4766,-.636,4.0954;-.2793,-1.7196,3.6041;.2787,-2.6427,2.674;2.3913,-1.3877,2.7194;1.633,-2.4888,2.2647;2.3468,.4524,3.8757;.0232,.096,4.7658;-1.3372,-1.7995,3.8656;-.3309,-3.4503,2.2651;3.4041,-1.221,2.3483;2.0521,-3.1708,1.5222;-1.3942,-.051,1.3721;-2.1541,-.3597,.425;-1.74,-1.0129,-.6621;-.4359,-1.3856,-1.0289;-2.4572,-1.2301,-1.3466;-.3117,-2.066,-2.2447;.9426,-2.4293,-2.7176;2.0899,-2.1055,-1.9892;1.956,-1.4514,-.7727;.6988,-1.0766,-.2407;.8619,.3738,.0395;-1.2032,-2.3091,-2.8294;1.0255,-2.9617,-3.6679;3.0785,-2.3711,-2.3692;2.8601,-1.1944,-.2134;-3.5968,.0056,.5194;-4.0574,-.568,1.3388;-4.1544,-.1829,-.4062;-3.682,1.0674,.7903;1.0461,1.2607,.773;.4504,2.4027,.7521;.4747,3.2163,1.9901;1.5223,3.4221,2.2601;.0287,2.6307,2.8078;-.0616,4.167,1.8852;-.1345,2.8502,-.3325;-.2294,2.1911,-1.5993;-.5724,3.7673,-.2616;.9205,1.7345,-2.2464;-1.489,2.0734,-2.1889;-1.5976,1.4719,-3.4405;-.4578,.996,-4.0891;.7966,1.1291,-3.4936;1.9059,1.8763,-1.7981;-2.3746,2.4683,-1.6842;-2.5751,1.3967,-3.9221;-.5449,.5404,-5.0779;1.6915,.7828,-4.0141;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.508099"
                              y3="-0.695035"
                              z3="1.845036"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.795952"
                              y3="-0.450014"
                              z3="3.595459"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.482641"
                              y3="-0.632977"
                              z3="4.09553"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.278604"
                              y3="-1.714676"
                              z3="3.609446"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.27272"
                              y3="-2.640902"
                              z3="2.678171"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.390183"
                              y3="-1.393971"
                              z3="2.714392"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.626058"
                              y3="-2.492861"
                              z3="2.263917"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.355835"
                              y3="0.448735"
                              z3="3.866454"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.034402"
                              y3="0.101849"
                              z3="4.766318"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.335793"
                              y3="-1.790662"
                              z3="3.875164"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.3413"
                              y3="-3.44688"
                              z3="2.2726"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.402516"
                              y3="-1.231699"
                              z3="2.339839"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.039831"
                              y3="-3.177478"
                              z3="1.52087"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.395797"
                              y3="-0.053818"
                              z3="1.371837"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.154771"
                              y3="-0.36208"
                              z3="0.423748"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.739278"
                              y3="-1.01395"
                              z3="-0.663652"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.434535"
                              y3="-1.385384"
                              z3="-1.029694"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.45574"
                              y3="-1.231169"
                              z3="-1.348826"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.309099"
                              y3="-2.065614"
                              z3="-2.245453"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.945739"
                              y3="-2.427762"
                              z3="-2.717773"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.092351"
                              y3="-2.102995"
                              z3="-1.988739"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.957261"
                              y3="-1.449026"
                              z3="-0.772237"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.699437"
                              y3="-1.075435"
                              z3="-0.240819"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.860777"
                              y3="0.374934"
                              z3="0.040446"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.200042"
                              y3="-2.309454"
                              z3="-2.830616"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.029662"
                              y3="-2.960074"
                              z3="-3.668043"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.081451"
                              y3="-2.367642"
                              z3="-2.36818"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.860804"
                              y3="-1.191261"
                              z3="-0.212487"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.597835"
                              y3="0.001907"
                              z3="0.517382"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.058806"
                              y3="-0.573812"
                              z3="1.335036"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.154232"
                              y3="-0.185048"
                              z3="-0.40926"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.684079"
                              y3="1.06304"
                              z3="0.7905"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.043383"
                              y3="1.261439"
                              z3="0.774951"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.448881"
                              y3="2.404061"
                              z3="0.75304"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.472645"
                              y3="3.217847"
                              z3="1.990882"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.520034"
                              y3="3.422493"
                              z3="2.262257"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.024977"
                              y3="2.632744"
                              z3="2.808081"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.062518"
                              y3="4.169161"
                              z3="1.885264"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.134507"
                              y3="2.851764"
                              z3="-0.332335"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.229293"
                              y3="2.191944"
                              z3="-1.59872"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.571425"
                              y3="3.769444"
                              z3="-0.262247"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.920706"
                              y3="1.73545"
                              z3="-2.245806"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.488925"
                              y3="2.073368"
                              z3="-2.188038"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.597482"
                              y3="1.471339"
                              z3="-3.439363"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.457591"
                              y3="0.995582"
                              z3="-4.087927"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.796792"
                              y3="1.129421"
                              z3="-3.492666"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.906055"
                              y3="1.877856"
                              z3="-1.797575"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.374591"
                              y3="2.468122"
                              z3="-1.683306"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.575062"
                              y3="1.395522"
                              z3="-3.920749"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.544738"
                              y3="0.53959"
                              z3="-5.076524"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.69171"
                              y3="0.783179"
                              z3="-4.013117"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5081,-.695,1.845;1.796,-.45,3.5955;.4826,-.633,4.0955;-.2786,-1.7147,3.6094;.2727,-2.6409,2.6782;2.3902,-1.394,2.7144;1.6261,-2.4929,2.2639;2.3558,.4487,3.8665;.0344,.1018,4.7663;-1.3358,-1.7907,3.8752;-.3413,-3.4469,2.2726;3.4025,-1.2317,2.3398;2.0398,-3.1775,1.5209;-1.3958,-.0538,1.3718;-2.1548,-.3621,.4237;-1.7393,-1.0139,-.6637;-.4345,-1.3854,-1.0297;-2.4557,-1.2312,-1.3488;-.3091,-2.0656,-2.2455;.9457,-2.4278,-2.7178;2.0924,-2.103,-1.9887;1.9573,-1.449,-.7722;.6994,-1.0754,-.2408;.8608,.3749,.0404;-1.2,-2.3095,-2.8306;1.0297,-2.9601,-3.668;3.0815,-2.3676,-2.3682;2.8608,-1.1913,-.2125;-3.5978,.0019,.5174;-4.0588,-.5738,1.335;-4.1542,-.185,-.4093;-3.6841,1.063,.7905;1.0434,1.2614,.775;.4489,2.4041,.753;.4726,3.2178,1.9909;1.52,3.4225,2.2623;.025,2.6327,2.8081;-.0625,4.1692,1.8853;-.1345,2.8518,-.3323;-.2293,2.1919,-1.5987;-.5714,3.7694,-.2622;.9207,1.7354,-2.2458;-1.4889,2.0734,-2.188;-1.5975,1.4713,-3.4394;-.4576,.9956,-4.0879;.7968,1.1294,-3.4927;1.9061,1.8779,-1.7976;-2.3746,2.4681,-1.6833;-2.5751,1.3955,-3.9207;-.5447,.5396,-5.0765;1.6917,.7832,-4.0131;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.507112"
                              y3="-0.695475"
                              z3="1.844956"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.800952"
                              y3="-0.452572"
                              z3="3.590313"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.488521"
                              y3="-0.629833"
                              z3="4.095591"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.27829"
                              y3="-1.709415"
                              z3="3.614483"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.266264"
                              y3="-2.638848"
                              z3="2.68212"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.388929"
                              y3="-1.400484"
                              z3="2.709671"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.618702"
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                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
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                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5062,-.6958,1.8448;1.806,-.4551,3.5852;.4944,-.6266,4.0956;-.278,-1.7039,3.6195;.2597,-2.6366,2.6861;2.3876,-1.4071,2.705;1.6112,-2.501,2.2625;2.3743,.4405,3.8487;.0567,.114,4.767;-1.3337,-1.7713,3.8932;-.3633,-3.4389,2.2869;3.399,-1.2544,2.3241;2.0144,-3.1911,1.5186;-1.3983,-.0584,1.3704;-2.1552,-.3665,.4206;-1.7368,-1.0163,-.667;-.4309,-1.3853,-1.0313;-2.4518,-1.2338,-1.3535;-.3028,-2.0653,-2.2469;.9533,-2.4252,-2.7177;2.0984,-2.0982,-1.9873;1.9607,-1.4445,-.7711;.7015,-1.0732,-.2411;.8592,.3771,.0421;-1.1926,-2.3109,-2.8331;1.0393,-2.9574,-3.6679;3.0885,-2.361,-2.3656;2.8631,-1.185,-.2102;-3.599,-.0052,.5124;-4.0609,-.5849,1.3268;-4.153,-.1895,-.4162;-3.6877,1.0547,.7895;1.0389,1.2631,.7783;.4462,2.4065,.7549;.4692,3.2205,1.9926;1.5164,3.4235,2.2659;.0193,2.6361,2.809;-.0644,4.1726,1.886;-.135,2.8546,-.3315;-.2301,2.1935,-1.5972;-.5705,3.773,-.2625;.9199,1.7372,-2.2445;-1.4899,2.0736,-2.1857;-1.5988,1.4706,-3.4365;-.459,.9952,-4.0854;.7957,1.1302,-3.4909;1.9054,1.8806,-1.7969;-2.3756,2.4682,-1.6807;-2.5766,1.3938,-3.9173;-.5464,.5384,-5.0736;1.6905,.784,-4.0116;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.5054"
                              y3="-0.696148"
                              z3="1.844699"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.811011"
                              y3="-0.457752"
                              z3="3.580118"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.500339"
                              y3="-0.623244"
                              z3="4.095541"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.277715"
                              y3="-1.69836"
                              z3="3.624379"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.253174"
                              y3="-2.634324"
                              z3="2.690071"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.386297"
                              y3="-1.413666"
                              z3="2.700485"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.603766"
                              y3="-2.505011"
                              z3="2.261897"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.383536"
                              y3="0.436322"
                              z3="3.839929"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.067899"
                              y3="0.120177"
                              z3="4.767254"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.332666"
                              y3="-1.761395"
                              z3="3.902083"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.374406"
                              y3="-3.434642"
                              z3="2.294104"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.397256"
                              y3="-1.265895"
                              z3="2.316456"/>
                        <atom elementType="H"
                              id="a13"
                              x3="2.001574"
                              y3="-3.19782"
                              z3="1.517667"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.399334"
                              y3="-0.060488"
                              z3="1.36958"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.155283"
                              y3="-0.368599"
                              z3="0.419032"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.735554"
                              y3="-1.017487"
                              z3="-0.668571"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.429097"
                              y3="-1.385306"
                              z3="-1.032154"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.449871"
                              y3="-1.235299"
                              z3="-1.355801"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.299604"
                              y3="-2.065253"
                              z3="-2.247664"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.957045"
                              y3="-2.423979"
                              z3="-2.717738"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.101462"
                              y3="-2.095951"
                              z3="-1.986684"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.962447"
                              y3="-1.442248"
                              z3="-0.77051"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.702655"
                              y3="-1.072124"
                              z3="-0.241291"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.858519"
                              y3="0.378076"
                              z3="0.042786"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.188865"
                              y3="-2.311582"
                              z3="-2.834365"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.04414"
                              y3="-2.956144"
                              z3="-3.667786"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.091948"
                              y3="-2.357832"
                              z3="-2.36434"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.864283"
                              y3="-1.182034"
                              z3="-0.209191"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.59951"
                              y3="-0.008591"
                              z3="0.509985"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.06171"
                              y3="-0.59013"
                              z3="1.32285"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.152373"
                              y3="-0.191841"
                              z3="-0.419501"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.689306"
                              y3="1.050732"
                              z3="0.788784"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.036925"
                              y3="1.263874"
                              z3="0.779774"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.4449"
                              y3="2.40757"
                              z3="0.755826"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.467456"
                              y3="3.221666"
                              z3="1.993494"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.514594"
                              y3="3.424058"
                              z3="2.267524"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.016653"
                              y3="2.637375"
                              z3="2.809554"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.065593"
                              y3="4.174003"
                              z3="1.886576"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.135511"
                              y3="2.855811"
                              z3="-0.330934"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.230585"
                              y3="2.19422"
                              z3="-1.596413"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.570491"
                              y3="3.774528"
                              z3="-0.262445"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.919393"
                              y3="1.738182"
                              z3="-2.24387"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.490559"
                              y3="2.073691"
                              z3="-2.184585"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.599503"
                              y3="1.470297"
                              z3="-3.43522"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.459609"
                              y3="0.995087"
                              z3="-4.084193"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.795117"
                              y3="1.130743"
                              z3="-3.490011"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.904912"
                              y3="1.881984"
                              z3="-1.796417"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.376182"
                              y3="2.468055"
                              z3="-1.679455"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.577398"
                              y3="1.393028"
                              z3="-3.915766"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.547059"
                              y3="0.538063"
                              z3="-5.07229"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.68994"
                              y3="0.784715"
                              z3="-4.010783"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5054,-.6961,1.8447;1.811,-.4578,3.5801;.5003,-.6232,4.0955;-.2777,-1.6984,3.6244;.2532,-2.6343,2.6901;2.3863,-1.4137,2.7005;1.6038,-2.505,2.2619;2.3835,.4363,3.8399;.0679,.1202,4.7673;-1.3327,-1.7614,3.9021;-.3744,-3.4346,2.2941;3.3973,-1.2659,2.3165;2.0016,-3.1978,1.5177;-1.3993,-.0605,1.3696;-2.1553,-.3686,.419;-1.7356,-1.0175,-.6686;-.4291,-1.3853,-1.0322;-2.4499,-1.2353,-1.3558;-.2996,-2.0653,-2.2477;.957,-2.424,-2.7177;2.1015,-2.096,-1.9867;1.9624,-1.4422,-.7705;.7027,-1.0721,-.2413;.8585,.3781,.0428;-1.1889,-2.3116,-2.8344;1.0441,-2.9561,-3.6678;3.0919,-2.3578,-2.3643;2.8643,-1.182,-.2092;-3.5995,-.0086,.51;-4.0617,-.5901,1.3229;-4.1524,-.1918,-.4195;-3.6893,1.0507,.7888;1.0369,1.2639,.7798;.4449,2.4076,.7558;.4675,3.2217,1.9935;1.5146,3.4241,2.2675;.0167,2.6374,2.8096;-.0656,4.174,1.8866;-.1355,2.8558,-.3309;-.2306,2.1942,-1.5964;-.5705,3.7745,-.2624;.9194,1.7382,-2.2439;-1.4906,2.0737,-2.1846;-1.5995,1.4703,-3.4352;-.4596,.9951,-4.0842;.7951,1.1307,-3.49;1.9049,1.882,-1.7964;-2.3762,2.4681,-1.6795;-2.5774,1.393,-3.9158;-.5471,.5381,-5.0723;1.6899,.7847,-4.0108;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.504654"
                              y3="-0.696394"
                              z3="1.844532"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.81605"
                              y3="-0.460391"
                              z3="3.575074"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.506261"
                              y3="-0.619832"
                              z3="4.095437"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.277459"
                              y3="-1.692602"
                              z3="3.629241"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.24654"
                              y3="-2.631875"
                              z3="2.694062"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.384907"
                              y3="-1.420336"
                              z3="2.696014"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.596184"
                              y3="-2.509009"
                              z3="2.261379"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.392875"
                              y3="0.431979"
                              z3="3.831201"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.079159"
                              y3="0.126492"
                              z3="4.767353"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.331633"
                              y3="-1.751165"
                              z3="3.910837"/>
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                              x3="-0.385607"
                              y3="-3.430177"
                              z3="2.301283"/>
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                              id="a12"
                              x3="3.395403"
                              y3="-1.27757"
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                              x3="1.98863"
                              y3="-3.204588"
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                              x3="-1.400295"
                              y3="-0.062413"
                              z3="1.36867"/>
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                              x3="-2.1553"
                              y3="-0.370666"
                              z3="0.417417"/>
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                              x3="-1.734224"
                              y3="-1.018738"
                              z3="-0.67016"/>
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                              x3="-0.427205"
                              y3="-1.385347"
                              z3="-1.032959"/>
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                              x3="-2.447863"
                              y3="-1.236863"
                              z3="-1.357996"/>
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                              id="a19"
                              x3="-0.296393"
                              y3="-2.06519"
                              z3="-2.248389"/>
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                              id="a20"
                              x3="0.960844"
                              y3="-2.422788"
                              z3="-2.717743"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.104543"
                              y3="-2.093696"
                              z3="-1.986037"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.964251"
                              y3="-1.440086"
                              z3="-0.769965"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.703824"
                              y3="-1.071104"
                              z3="-0.241456"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.85799"
                              y3="0.379053"
                              z3="0.043456"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.185104"
                              y3="-2.312333"
                              z3="-2.835587"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.048968"
                              y3="-2.954897"
                              z3="-3.667723"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.09548"
                              y3="-2.354667"
                              z3="-2.36312"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.865533"
                              y3="-1.179053"
                              z3="-0.208154"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.599908"
                              y3="-0.011985"
                              z3="0.50751"/>
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                              id="a30"
                              x3="-4.062414"
                              y3="-0.595199"
                              z3="1.31901"/>
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                              id="a31"
                              x3="-4.151691"
                              y3="-0.194299"
                              z3="-0.4228"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.690879"
                              y3="1.046817"
                              z3="0.787865"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.03512"
                              y3="1.264652"
                              z3="0.781142"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.443573"
                              y3="2.40854"
                              z3="0.756752"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.465718"
                              y3="3.222636"
                              z3="1.994431"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.512764"
                              y3="3.424602"
                              z3="2.269125"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.014235"
                              y3="2.638422"
                              z3="2.810171"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.06695"
                              y3="4.175152"
                              z3="1.887261"/>
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                              id="a39"
                              x3="-0.136138"
                              y3="2.85691"
                              z3="-0.330331"/>
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                              x3="-0.231209"
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                              y3="2.073717"
                              z3="-2.183466"/>
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                              x3="-1.60024"
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                              z3="-3.433939"/>
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                              id="a45"
                              x3="-0.460288"
                              y3="0.995111"
                              z3="-4.083053"/>
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                              id="a46"
                              x3="0.794518"
                              y3="1.131406"
                              z3="-3.48917"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.904368"
                              y3="1.883485"
                              z3="-1.795959"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.376924"
                              y3="2.467829"
                              z3="-1.678203"/>
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                              id="a49"
                              x3="-2.578213"
                              y3="1.392221"
                              z3="-3.914252"/>
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                              id="a50"
                              x3="-0.547765"
                              y3="0.537837"
                              z3="-5.071032"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.689359"
                              y3="0.785581"
                              z3="-4.01005"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5047,-.6964,1.8445;1.816,-.4604,3.5751;.5063,-.6198,4.0954;-.2775,-1.6926,3.6292;.2465,-2.6319,2.6941;2.3849,-1.4203,2.696;1.5962,-2.509,2.2614;2.3929,.432,3.8312;.0792,.1265,4.7674;-1.3316,-1.7512,3.9108;-.3856,-3.4302,2.3013;3.3954,-1.2776,2.3089;1.9886,-3.2046,1.5169;-1.4003,-.0624,1.3687;-2.1553,-.3707,.4174;-1.7342,-1.0187,-.6702;-.4272,-1.3853,-1.033;-2.4479,-1.2369,-1.358;-.2964,-2.0652,-2.2484;.9608,-2.4228,-2.7177;2.1045,-2.0937,-1.986;1.9643,-1.4401,-.77;.7038,-1.0711,-.2415;.858,.3791,.0435;-1.1851,-2.3123,-2.8356;1.049,-2.9549,-3.6677;3.0955,-2.3547,-2.3631;2.8655,-1.1791,-.2082;-3.5999,-.012,.5075;-4.0624,-.5952,1.319;-4.1517,-.1943,-.4228;-3.6909,1.0468,.7879;1.0351,1.2647,.7811;.4436,2.4085,.7568;.4657,3.2226,1.9944;1.5128,3.4246,2.2691;.0142,2.6384,2.8102;-.0669,4.1752,1.8873;-.1361,2.8569,-.3303;-.2312,2.1949,-1.5956;-.5707,3.7758,-.2622;.9188,1.7392,-2.2432;-1.4913,2.0737,-2.1835;-1.6002,1.47,-3.4339;-.4603,.9951,-4.0831;.7945,1.1314,-3.4892;1.9044,1.8835,-1.796;-2.3769,2.4678,-1.6782;-2.5782,1.3922,-3.9143;-.5478,.5378,-5.071;1.6894,.7856,-4.01;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.503984"
                              y3="-0.696582"
                              z3="1.844342"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.82112"
                              y3="-0.463066"
                              z3="3.570048"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.512223"
                              y3="-0.616345"
                              z3="4.095283"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.277198"
                              y3="-1.686693"
                              z3="3.634061"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.239858"
                              y3="-2.629302"
                              z3="2.698074"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.383477"
                              y3="-1.427061"
                              z3="2.691599"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.588528"
                              y3="-2.512984"
                              z3="2.260924"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.40229"
                              y3="0.42753"
                              z3="3.822503"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.090503"
                              y3="0.132901"
                              z3="4.767357"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.330574"
                              y3="-1.740709"
                              z3="3.919514"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.396883"
                              y3="-3.425523"
                              z3="2.308483"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.393499"
                              y3="-1.289382"
                              z3="2.301487"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.975578"
                              y3="-3.211349"
                              z3="1.516182"/>
                        <atom elementType="O"
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                              x3="-1.401154"
                              y3="-0.064194"
                              z3="1.367699"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.155253"
                              y3="-0.372674"
                              z3="0.4158"/>
                        <atom elementType="N"
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                              x3="-1.732867"
                              y3="-1.020013"
                              z3="-0.671714"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.425292"
                              y3="-1.385409"
                              z3="-1.033755"/>
                        <atom elementType="H"
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                              x3="1.966078"
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                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5034,-.6967,1.8441;1.8262,-.4658,3.5651;.5182,-.6128,4.0951;-.2769,-1.6807,3.6388;.2331,-2.6266,2.7021;2.382,-1.4338,2.6872;1.5808,-2.5169,2.2605;2.4117,.423,3.8139;.1019,.1393,4.7673;-1.3295,-1.7301,3.9281;-.4082,-3.4207,2.3157;3.3915,-1.3013,2.2941;1.9625,-3.2181,1.5156;-1.4019,-.0659,1.3667;-2.1552,-.3747,.4142;-1.7315,-1.0213,-.6732;-.4234,-1.3855,-1.0345;-2.4438,-1.2402,-1.3622;-.29,-2.0651,-2.2498;.9684,-2.4205,-2.7178;2.1107,-2.0893,-1.9848;1.9679,-1.4359,-.7689;.7063,-1.0691,-.2418;.8572,.3809,.0447;-1.1776,-2.3139,-2.838;1.0586,-2.9525,-3.6676;3.1025,-2.3484,-2.3608;2.8681,-1.1732,-.2062;-3.6005,-.0186,.5026;-4.0635,-.6048,1.3117;-4.1503,-.1994,-.4292;-3.6938,1.0393,.7856;1.0319,1.2662,.7836;.4409,2.4102,.7586;.4621,3.2242,1.9964;1.509,3.4257,2.2722;.0097,2.6399,2.8115;-.0701,4.1769,1.8889;-.1378,2.8588,-.329;-.2327,2.1962,-1.594;-.572,3.7779,-.2613;.9175,1.7414,-2.2418;-1.4928,2.0736,-2.1813;-1.6017,1.4694,-3.4315;-.4616,.9954,-4.0809;.7934,1.133,-3.4875;1.9031,1.8867,-1.7949;-2.3787,2.4671,-1.6758;-2.5798,1.3906,-3.9115;-.549,.5377,-5.0687;1.6883,.7878,-4.0086;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.502819"
                              y3="-0.696818"
                              z3="1.843913"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.831294"
                              y3="-0.468564"
                              z3="3.560078"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.524214"
                              y3="-0.609248"
                              z3="4.094845"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.276676"
                              y3="-1.674534"
                              z3="3.643561"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.226364"
                              y3="-2.623845"
                              z3="2.706111"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.380473"
                              y3="-1.44067"
                              z3="2.682942"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.573007"
                              y3="-2.520866"
                              z3="2.260175"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.421253"
                              y3="0.418276"
                              z3="3.805251"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.113364"
                              y3="0.145856"
                              z3="4.767115"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.328391"
                              y3="-1.719272"
                              z3="3.936617"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.41962"
                              y3="-3.415709"
                              z3="2.322869"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.389513"
                              y3="-1.313371"
                              z3="2.286888"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.94919"
                              y3="-3.224818"
                              z3="1.515093"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.402635"
                              y3="-0.06744"
                              z3="1.365587"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.154995"
                              y3="-0.376586"
                              z3="0.412524"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.730068"
                              y3="-1.022659"
                              z3="-0.674756"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.421392"
                              y3="-1.385608"
                              z3="-1.03532"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.441772"
                              y3="-1.242016"
                              z3="-1.364207"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.286719"
                              y3="-2.065132"
                              z3="-2.250506"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.972243"
                              y3="-2.419361"
                              z3="-2.717793"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.113827"
                              y3="-2.087096"
                              z3="-1.984223"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.969804"
                              y3="-1.433761"
                              z3="-0.768444"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.707529"
                              y3="-1.068197"
                              z3="-0.241983"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.85689"
                              y3="0.381836"
                              z3="0.045187"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.173812"
                              y3="-2.314698"
                              z3="-2.839139"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.063373"
                              y3="-2.951291"
                              z3="-3.66758"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.106082"
                              y3="-2.345351"
                              z3="-2.359659"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.869456"
                              y3="-1.170225"
                              z3="-0.205262"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600724"
                              y3="-0.021874"
                              z3="0.500155"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.06388"
                              y3="-0.609485"
                              z3="1.308135"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.14953"
                              y3="-0.202096"
                              z3="-0.432319"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.695174"
                              y3="1.035566"
                              z3="0.784375"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.030494"
                              y3="1.266912"
                              z3="0.784697"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.439528"
                              y3="2.410978"
                              z3="0.75952"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.46031"
                              y3="3.224797"
                              z3="1.997409"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.507039"
                              y3="3.426188"
                              z3="2.273729"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.0075"
                              y3="2.640362"
                              z3="2.812256"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.071914"
                              y3="4.177508"
                              z3="1.889868"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.138737"
                              y3="2.859615"
                              z3="-0.328229"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.233498"
                              y3="2.196846"
                              z3="-1.59314"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.572926"
                              y3="3.778774"
                              z3="-0.260723"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.916856"
                              y3="1.742504"
                              z3="-2.241129"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.493692"
                              y3="2.07351"
                              z3="-2.180239"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.602478"
                              y3="1.469085"
                              z3="-3.43039"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.462171"
                              y3="0.995597"
                              z3="-4.07991"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.792769"
                              y3="1.133971"
                              z3="-3.486756"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.902412"
                              y3="1.888394"
                              z3="-1.794398"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.379624"
                              y3="2.466533"
                              z3="-1.674592"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.580612"
                              y3="1.389692"
                              z3="-3.910132"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.549513"
                              y3="0.537783"
                              z3="-5.067653"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.687809"
                              y3="0.789117"
                              z3="-4.007946"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5028,-.6968,1.8439;1.8313,-.4686,3.5601;.5242,-.6092,4.0948;-.2767,-1.6745,3.6436;.2264,-2.6238,2.7061;2.3805,-1.4407,2.6829;1.573,-2.5209,2.2602;2.4213,.4183,3.8053;.1134,.1459,4.7671;-1.3284,-1.7193,3.9366;-.4196,-3.4157,2.3229;3.3895,-1.3134,2.2869;1.9492,-3.2248,1.5151;-1.4026,-.0674,1.3656;-2.155,-.3766,.4125;-1.7301,-1.0227,-.6748;-.4214,-1.3856,-1.0353;-2.4418,-1.242,-1.3642;-.2867,-2.0651,-2.2505;.9722,-2.4194,-2.7178;2.1138,-2.0871,-1.9842;1.9698,-1.4338,-.7684;.7075,-1.0682,-.242;.8569,.3818,.0452;-1.1738,-2.3147,-2.8391;1.0634,-2.9513,-3.6676;3.1061,-2.3454,-2.3597;2.8695,-1.1702,-.2053;-3.6007,-.0219,.5002;-4.0639,-.6095,1.3081;-4.1495,-.2021,-.4323;-3.6952,1.0356,.7844;1.0305,1.2669,.7847;.4395,2.411,.7595;.4603,3.2248,1.9974;1.507,3.4262,2.2737;.0075,2.6404,2.8123;-.0719,4.1775,1.8899;-.1387,2.8596,-.3282;-.2335,2.1968,-1.5931;-.5729,3.7788,-.2607;.9169,1.7425,-2.2411;-1.4937,2.0735,-2.1802;-1.6025,1.4691,-3.4304;-.4622,.9956,-4.0799;.7928,1.134,-3.4868;1.9024,1.8884,-1.7944;-2.3796,2.4665,-1.6746;-2.5806,1.3897,-3.9101;-.5495,.5378,-5.0677;1.6878,.7891,-4.0079;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.502322"
                              y3="-0.696869"
                              z3="1.843675"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.836413"
                              y3="-0.471405"
                              z3="3.555123"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.530263"
                              y3="-0.605654"
                              z3="4.094563"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.276402"
                              y3="-1.668294"
                              z3="3.648248"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.21955"
                              y3="-2.620966"
                              z3="2.710131"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.3789"
                              y3="-1.447566"
                              z3="2.678677"/>
                        <atom elementType="C"
                              id="a7"
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                        <bond atomRefs2="a15 a16" order="S"/>
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                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
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                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
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                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5019,-.6969,1.8434;1.8416,-.4743,3.5502;.5364,-.602,4.0943;-.2761,-1.662,3.6529;.2127,-2.618,2.7142;2.3773,-1.4545,2.6745;1.5572,-2.5287,2.2596;2.4405,.4085,3.7881;.1366,.1589,4.7666;-1.3261,-1.6972,3.9535;-.4426,-3.4052,2.3373;3.3853,-1.3379,2.2726;1.9224,-3.2382,1.5143;-1.4038,-.0703,1.3633;-2.1545,-.3804,.4092;-1.7272,-1.0254,-.6777;-.4174,-1.3859,-1.0368;-2.4377,-1.2458,-1.3681;-.2802,-2.0652,-2.2519;.9799,-2.4172,-2.7178;2.1201,-2.0827,-1.9831;1.9736,-1.4296,-.7675;.7101,-1.0663,-.2424;.8565,.3836,.0462;-1.1662,-2.3164,-2.8414;1.073,-2.949,-3.6675;3.1132,-2.3392,-2.3575;2.8722,-1.1643,-.2035;-3.601,-.0283,.4953;-4.0644,-.6183,1.3014;-4.148,-.2077,-.4384;-3.6977,1.0284,.7815;1.0279,1.2684,.7867;.4368,2.4123,.7614;.4566,3.2258,1.9995;1.5031,3.4272,2.2767;.0033,2.6409,2.8138;-.0758,4.1784,1.8919;-.1409,2.8611,-.3266;-.2353,2.198,-1.5915;-.5753,3.7801,-.2593;.9154,1.7449,-2.2397;-1.4955,2.0732,-2.1782;-1.604,1.4685,-3.4282;-.4633,.9962,-4.078;.7916,1.136,-3.4852;1.9009,1.892,-1.7932;-2.3817,2.4652,-1.6723;-2.5822,1.3879,-3.9076;-.5505,.5381,-5.0656;1.6869,.7921,-4.0066;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.501329"
                              y3="-0.697076"
                              z3="1.843329"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.846838"
                              y3="-0.477145"
                              z3="3.545144"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.542764"
                              y3="-0.598699"
                              z3="4.094061"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.275299"
                              y3="-1.656059"
                              z3="3.65787"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.206437"
                              y3="-2.615277"
                              z3="2.718475"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.375846"
                              y3="-1.461213"
                              z3="2.669969"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.549661"
                              y3="-2.532499"
                              z3="2.25931"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.450011"
                              y3="0.403727"
                              z3="3.779406"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.148452"
                              y3="0.165082"
                              z3="4.766465"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.32425"
                              y3="-1.686771"
                              z3="3.96237"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.453407"
                              y3="-3.400302"
                              z3="2.344843"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.383133"
                              y3="-1.349644"
                              z3="2.264936"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.909302"
                              y3="-3.244721"
                              z3="1.513877"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.404601"
                              y3="-0.071959"
                              z3="1.362485"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.154568"
                              y3="-0.382236"
                              z3="0.407904"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.726084"
                              y3="-1.026628"
                              z3="-0.678968"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.415831"
                              y3="-1.385923"
                              z3="-1.037495"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.435992"
                              y3="-1.247361"
                              z3="-1.36983"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.277492"
                              y3="-2.065029"
                              z3="-2.252494"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.983101"
                              y3="-2.415909"
                              z3="-2.717924"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.122669"
                              y3="-2.080566"
                              z3="-1.982643"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.975106"
                              y3="-1.427588"
                              z3="-0.767089"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.711094"
                              y3="-1.065461"
                              z3="-0.242449"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.856056"
                              y3="0.384431"
                              z3="0.046798"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.163046"
                              y3="-2.316924"
                              z3="-2.842461"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.077074"
                              y3="-2.947583"
                              z3="-3.667569"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.116178"
                              y3="-2.336089"
                              z3="-2.356602"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.873217"
                              y3="-1.161517"
                              z3="-0.202718"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.601336"
                              y3="-0.031276"
                              z3="0.493263"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.064885"
                              y3="-0.622419"
                              z3="1.298458"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.147541"
                              y3="-0.210205"
                              z3="-0.440984"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.699036"
                              y3="1.025076"
                              z3="0.78034"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.026397"
                              y3="1.269113"
                              z3="0.787862"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.435105"
                              y3="2.412923"
                              z3="0.762261"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.454116"
                              y3="3.226299"
                              z3="2.000473"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.500425"
                              y3="3.427815"
                              z3="2.278284"/>
                        <atom elementType="H"
                              id="a37"
                              x3="0.000469"
                              y3="2.641291"
                              z3="2.814445"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.078303"
                              y3="4.178868"
                              z3="1.892715"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.142193"
                              y3="2.861617"
                              z3="-0.325984"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.236016"
                              y3="2.198505"
                              z3="-1.590796"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.576698"
                              y3="3.780649"
                              z3="-0.258819"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.91502"
                              y3="1.746111"
                              z3="-2.238936"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.496106"
                              y3="2.072835"
                              z3="-2.17761"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.604081"
                              y3="1.468045"
                              z3="-3.427656"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.463057"
                              y3="0.996493"
                              z3="-4.077333"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.791766"
                              y3="1.137171"
                              z3="-3.484445"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.900385"
                              y3="1.893779"
                              z3="-1.792352"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.382608"
                              y3="2.464346"
                              z3="-1.671786"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.582181"
                              y3="1.386862"
                              z3="-3.90718"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.549782"
                              y3="0.538395"
                              z3="-5.0650"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.687295"
                              y3="0.793755"
                              z3="-4.00575"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5013,-.6971,1.8433;1.8468,-.4771,3.5451;.5428,-.5987,4.0941;-.2753,-1.6561,3.6579;.2064,-2.6153,2.7185;2.3758,-1.4612,2.67;1.5497,-2.5325,2.2593;2.45,.4037,3.7794;.1485,.1651,4.7665;-1.3242,-1.6868,3.9624;-.4534,-3.4003,2.3448;3.3831,-1.3496,2.2649;1.9093,-3.2447,1.5139;-1.4046,-.072,1.3625;-2.1546,-.3822,.4079;-1.7261,-1.0266,-.679;-.4158,-1.3859,-1.0375;-2.436,-1.2474,-1.3698;-.2775,-2.065,-2.2525;.9831,-2.4159,-2.7179;2.1227,-2.0806,-1.9826;1.9751,-1.4276,-.7671;.7111,-1.0655,-.2424;.8561,.3844,.0468;-1.163,-2.3169,-2.8425;1.0771,-2.9476,-3.6676;3.1162,-2.3361,-2.3566;2.8732,-1.1615,-.2027;-3.6013,-.0313,.4933;-4.0649,-.6224,1.2985;-4.1475,-.2102,-.441;-3.699,1.0251,.7803;1.0264,1.2691,.7879;.4351,2.4129,.7623;.4541,3.2263,2.0005;1.5004,3.4278,2.2783;.0005,2.6413,2.8144;-.0783,4.1789,1.8927;-.1422,2.8616,-.326;-.236,2.1985,-1.5908;-.5767,3.7806,-.2588;.915,1.7461,-2.2389;-1.4961,2.0728,-2.1776;-1.6041,1.468,-3.4277;-.4631,.9965,-4.0773;.7918,1.1372,-3.4844;1.9004,1.8938,-1.7924;-2.3826,2.4643,-1.6718;-2.5822,1.3869,-3.9072;-.5498,.5384,-5.065;1.6873,.7938,-4.0057;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.500928"
                              y3="-0.696982"
                              z3="1.843041"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.851993"
                              y3="-0.48011"
                              z3="3.540185"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.548938"
                              y3="-0.595021"
                              z3="4.09367"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.274974"
                              y3="-1.649518"
                              z3="3.662476"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.199517"
                              y3="-2.612094"
                              z3="2.722542"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.374105"
                              y3="-1.468205"
                              z3="2.665746"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.541561"
                              y3="-2.53631"
                              z3="2.259099"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.459694"
                              y3="0.398593"
                              z3="3.770858"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.160261"
                              y3="0.171682"
                              z3="4.766043"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.322964"
                              y3="-1.675353"
                              z3="3.970699"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.465027"
                              y3="-3.394665"
                              z3="2.352085"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.380795"
                              y3="-1.362097"
                              z3="2.257814"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.895596"
                              y3="-3.251328"
                              z3="1.513645"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.40506"
                              y3="-0.073104"
                              z3="1.361152"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.154254"
                              y3="-0.384026"
                              z3="0.40617"/>
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                              id="a16"
                              x3="-1.724596"
                              y3="-1.028097"
                              z3="-0.680422"/>
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                              id="a17"
                              x3="-0.413801"
                              y3="-1.386134"
                              z3="-1.038246"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.433908"
                              y3="-1.249468"
                              z3="-1.37169"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.274198"
                              y3="-2.065157"
                              z3="-2.25314"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.986961"
                              y3="-2.414883"
                              z3="-2.717922"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.12583"
                              y3="-2.078414"
                              z3="-1.982083"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.977045"
                              y3="-1.425502"
                              z3="-0.766635"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.712433"
                              y3="-1.064567"
                              z3="-0.242639"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.855973"
                              y3="0.385282"
                              z3="0.047211"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.159219"
                              y3="-2.317901"
                              z3="-2.843548"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.081915"
                              y3="-2.946515"
                              z3="-3.667491"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.119772"
                              y3="-2.332992"
                              z3="-2.35553"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.874622"
                              y3="-1.158498"
                              z3="-0.201881"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.60138"
                              y3="-0.034374"
                              z3="0.490753"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.064986"
                              y3="-0.62653"
                              z3="1.295178"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.146756"
                              y3="-0.213116"
                              z3="-0.444014"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.700208"
                              y3="1.021673"
                              z3="0.778541"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.025372"
                              y3="1.269828"
                              z3="0.788738"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.433755"
                              y3="2.413456"
                              z3="0.763201"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.452225"
                              y3="3.226563"
                              z3="2.001598"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.498402"
                              y3="3.428256"
                              z3="2.279775"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.001495"
                              y3="2.641215"
                              z3="2.815285"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.080423"
                              y3="4.179014"
                              z3="1.893936"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.143462"
                              y3="2.862166"
                              z3="-0.325079"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.237027"
                              y3="2.199043"
                              z3="-1.589905"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.578241"
                              y3="3.781065"
                              z3="-0.257875"/>
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                              id="a42"
                              x3="0.914214"
                              y3="1.747404"
                              z3="-2.238209"/>
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                              id="a43"
                              x3="-1.497118"
                              y3="2.072555"
                              z3="-2.176538"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.60488"
                              y3="1.467694"
                              z3="-3.426568"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.463641"
                              y3="0.99688"
                              z3="-4.076404"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.791179"
                              y3="1.138381"
                              z3="-3.4837"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.899541"
                              y3="1.895701"
                              z3="-1.791747"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.383795"
                              y3="2.463484"
                              z3="-1.67057"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.582999"
                              y3="1.385878"
                              z3="-3.905948"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.550209"
                              y3="0.538725"
                              z3="-5.064059"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.686853"
                              y3="0.795533"
                              z3="-4.00513"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5009,-.697,1.843;1.852,-.4801,3.5402;.5489,-.595,4.0937;-.275,-1.6495,3.6625;.1995,-2.6121,2.7225;2.3741,-1.4682,2.6657;1.5416,-2.5363,2.2591;2.4597,.3986,3.7709;.1603,.1717,4.766;-1.323,-1.6754,3.9707;-.465,-3.3947,2.3521;3.3808,-1.3621,2.2578;1.8956,-3.2513,1.5136;-1.4051,-.0731,1.3612;-2.1543,-.384,.4062;-1.7246,-1.0281,-.6804;-.4138,-1.3861,-1.0382;-2.4339,-1.2495,-1.3717;-.2742,-2.0652,-2.2531;.987,-2.4149,-2.7179;2.1258,-2.0784,-1.9821;1.977,-1.4255,-.7666;.7124,-1.0646,-.2426;.856,.3853,.0472;-1.1592,-2.3179,-2.8435;1.0819,-2.9465,-3.6675;3.1198,-2.333,-2.3555;2.8746,-1.1585,-.2019;-3.6014,-.0344,.4908;-4.065,-.6265,1.2952;-4.1468,-.2131,-.444;-3.7002,1.0217,.7785;1.0254,1.2698,.7887;.4338,2.4135,.7632;.4522,3.2266,2.0016;1.4984,3.4283,2.2798;-.0015,2.6412,2.8153;-.0804,4.179,1.8939;-.1435,2.8622,-.3251;-.237,2.199,-1.5899;-.5782,3.7811,-.2579;.9142,1.7474,-2.2382;-1.4971,2.0726,-2.1765;-1.6049,1.4677,-3.4266;-.4636,.9969,-4.0764;.7912,1.1384,-3.4837;1.8995,1.8957,-1.7917;-2.3838,2.4635,-1.6706;-2.583,1.3859,-3.9059;-.5502,.5387,-5.0641;1.6869,.7955,-4.0051;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.500579"
                              y3="-0.696841"
                              z3="1.842742"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.857185"
                              y3="-0.483184"
                              z3="3.535242"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.555165"
                              y3="-0.591346"
                              z3="4.093242"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.274643"
                              y3="-1.642878"
                              z3="3.667041"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.192523"
                              y3="-2.608811"
                              z3="2.726594"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.372301"
                              y3="-1.475301"
                              z3="2.661542"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.533349"
                              y3="-2.54012"
                              z3="2.2589"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.469467"
                              y3="0.393259"
                              z3="3.762352"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.17219"
                              y3="0.178277"
                              z3="4.765563"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.321642"
                              y3="-1.663758"
                              z3="3.978969"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.47676"
                              y3="-3.38884"
                              z3="2.359302"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.378372"
                              y3="-1.374737"
                              z3="2.250729"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.881717"
                              y3="-3.257926"
                              z3="1.513445"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.405448"
                              y3="-0.07414"
                              z3="1.359767"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.153898"
                              y3="-0.385805"
                              z3="0.404441"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.72309"
                              y3="-1.029622"
                              z3="-0.681837"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.41175"
                              y3="-1.38636"
                              z3="-1.038986"/>
                        <atom elementType="H"
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                              x3="-2.431827"
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                              x3="1.979009"
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                        <bond atomRefs2="a17 a23" order="S"/>
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                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
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                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="-0.696668"
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                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5003,-.6967,1.8424;1.8624,-.4864,3.5303;.5614,-.5877,4.0928;-.2743,-1.6362,3.6716;.1855,-2.6054,2.7306;2.3704,-1.4825,2.6574;1.525,-2.5439,2.2587;2.4793,.3877,3.7539;.1842,.1848,4.765;-1.3203,-1.652,3.9872;-.4886,-3.3828,2.3665;3.3759,-1.3875,2.2437;1.8677,-3.2645,1.5133;-1.4058,-.0751,1.3583;-2.1535,-.3876,.4027;-1.7216,-1.0312,-.6832;-.4097,-1.3866,-1.0397;-2.4297,-1.254,-1.3752;-.2675,-2.0655,-2.2544;.9948,-2.4128,-2.7179;2.1322,-2.074,-1.981;1.981,-1.4212,-.7658;.7152,-1.0627,-.243;.8559,.387,.048;-1.1515,-2.32,-2.8456;1.0917,-2.9444,-3.6673;3.127,-2.3266,-2.3535;2.8775,-1.1522,-.2003;-3.6014,-.0406,.4858;-4.0649,-.6344,1.289;-4.1452,-.2194,-.4499;-3.7025,1.015,.7746;1.0235,1.2713,.7904;.431,2.4145,.7651;.4484,3.227,2.0039;1.4943,3.4292,2.2827;-.0054,2.6409,2.817;-.0849,4.1792,1.8964;-.1462,2.8632,-.3232;-.2392,2.2001,-1.5881;-.5817,3.7817,-.2559;.9125,1.75,-2.2367;-1.4992,2.0719,-2.1744;-1.6065,1.467,-3.4245;-.4648,.9977,-4.0746;.79,1.1409,-3.4822;1.8978,1.8996,-1.7905;-2.3863,2.4617,-1.6682;-2.5846,1.3839,-3.9036;-.551,.5394,-5.0622;1.686,.7992,-4.0038;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.500003"
                              y3="-0.696469"
                              z3="1.842157"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.867654"
                              y3="-0.48966"
                              z3="3.525404"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.567792"
                              y3="-0.584065"
                              z3="4.092321"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.273922"
                              y3="-1.62939"
                              z3="3.676105"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.178365"
                              y3="-2.601998"
                              z3="2.73469"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.368512"
                              y3="-1.489772"
                              z3="2.653188"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.516627"
                              y3="-2.54774"
                              z3="2.258555"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.489223"
                              y3="0.382029"
                              z3="3.745449"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.196396"
                              y3="0.191371"
                              z3="4.764487"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.318839"
                              y3="-1.640172"
                              z3="3.995407"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.500488"
                              y3="-3.376697"
                              z3="2.373692"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.373251"
                              y3="-1.400497"
                              z3="2.236634"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.853495"
                              y3="-3.271079"
                              z3="1.513139"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.406064"
                              y3="-0.075994"
                              z3="1.356901"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.153074"
                              y3="-0.389299"
                              z3="0.400977"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.720011"
                              y3="-1.032753"
                              z3="-0.684599"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.40758"
                              y3="-1.38684"
                              z3="-1.040423"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.427619"
                              y3="-1.256351"
                              z3="-1.376895"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.26417"
                              y3="-2.065642"
                              z3="-2.254969"/>
                        <atom elementType="C"
                              id="a20"
                              x3="0.998703"
                              y3="-2.41174"
                              z3="-2.717877"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.135466"
                              y3="-2.071694"
                              z3="-1.980475"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.983002"
                              y3="-1.418952"
                              z3="-0.765363"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.716588"
                              y3="-1.06178"
                              z3="-0.243222"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.855906"
                              y3="0.387894"
                              z3="0.048347"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.147582"
                              y3="-2.321073"
                              z3="-2.846636"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.096609"
                              y3="-2.943271"
                              z3="-3.667198"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.130711"
                              y3="-2.323294"
                              z3="-2.352451"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.878968"
                              y3="-1.148929"
                              z3="-0.199567"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.601279"
                              y3="-0.043664"
                              z3="0.483326"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.064779"
                              y3="-0.638269"
                              z3="1.286023"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.144387"
                              y3="-0.222608"
                              z3="-0.452722"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.703524"
                              y3="1.011678"
                              z3="0.772446"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.022593"
                              y3="1.272074"
                              z3="0.791163"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.429623"
                              y3="2.414973"
                              z3="0.765999"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.446365"
                              y3="3.227219"
                              z3="2.004983"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.492115"
                              y3="3.429661"
                              z3="2.284202"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.007412"
                              y3="2.640741"
                              z3="2.817827"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.08718"
                              y3="4.1792"
                              z3="1.897665"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.147621"
                              y3="2.863624"
                              z3="-0.322289"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.240272"
                              y3="2.200595"
                              z3="-1.587227"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.583527"
                              y3="3.781968"
                              z3="-0.254834"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.911658"
                              y3="1.751368"
                              z3="-2.235981"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.50031"
                              y3="2.071584"
                              z3="-2.173413"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.607297"
                              y3="1.466574"
                              z3="-3.423438"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.465334"
                              y3="0.998096"
                              z3="-4.073699"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.78942"
                              y3="1.142148"
                              z3="-3.48145"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.896825"
                              y3="1.901622"
                              z3="-1.789812"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.387585"
                              y3="2.460662"
                              z3="-1.667063"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.585429"
                              y3="1.382807"
                              z3="-3.902464"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.551324"
                              y3="0.539806"
                              z3="-5.061342"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.685596"
                              y3="0.80111"
                              z3="-4.003208"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.5,-.6965,1.8422;1.8677,-.4897,3.5254;.5678,-.5841,4.0923;-.2739,-1.6294,3.6761;.1784,-2.602,2.7347;2.3685,-1.4898,2.6532;1.5166,-2.5477,2.2586;2.4892,.382,3.7454;.1964,.1914,4.7645;-1.3188,-1.6402,3.9954;-.5005,-3.3767,2.3737;3.3733,-1.4005,2.2366;1.8535,-3.2711,1.5131;-1.4061,-.076,1.3569;-2.1531,-.3893,.401;-1.72,-1.0328,-.6846;-.4076,-1.3868,-1.0404;-2.4276,-1.2564,-1.3769;-.2642,-2.0656,-2.255;.9987,-2.4117,-2.7179;2.1355,-2.0717,-1.9805;1.983,-1.419,-.7654;.7166,-1.0618,-.2432;.8559,.3879,.0483;-1.1476,-2.3211,-2.8466;1.0966,-2.9433,-3.6672;3.1307,-2.3233,-2.3525;2.879,-1.1489,-.1996;-3.6013,-.0437,.4833;-4.0648,-.6383,1.286;-4.1444,-.2226,-.4527;-3.7035,1.0117,.7724;1.0226,1.2721,.7912;.4296,2.415,.766;.4464,3.2272,2.005;1.4921,3.4297,2.2842;-.0074,2.6407,2.8178;-.0872,4.1792,1.8977;-.1476,2.8636,-.3223;-.2403,2.2006,-1.5872;-.5835,3.782,-.2548;.9117,1.7514,-2.236;-1.5003,2.0716,-2.1734;-1.6073,1.4666,-3.4234;-.4653,.9981,-4.0737;.7894,1.1421,-3.4815;1.8968,1.9016,-1.7898;-2.3876,2.4607,-1.6671;-2.5854,1.3828,-3.9025;-.5513,.5398,-5.0613;1.6856,.8011,-4.0032;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.499768"
                              y3="-0.696249"
                              z3="1.841886"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.872952"
                              y3="-0.493068"
                              z3="3.520498"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.574225"
                              y3="-0.580486"
                              z3="4.091842"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.273495"
                              y3="-1.622575"
                              z3="3.680627"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.171232"
                              y3="-2.598489"
                              z3="2.738741"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.36654"
                              y3="-1.497143"
                              z3="2.64901"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.508135"
                              y3="-2.551551"
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                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
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                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
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                        <bond atomRefs2="a42 a46" order="S"/>
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                        <bond atomRefs2="a44 a49" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
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                     </formula>
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                        <scalar units="unit:dalton">425.3175999999998</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4996,-.696,1.8416;1.8783,-.4966,3.5156;.5807,-.577,4.0914;-.273,-1.6157,3.6851;.1641,-2.5949,2.7428;2.3645,-1.5046,2.6448;1.4996,-2.5554,2.2582;2.5093,.37,3.7286;.2212,.2042,4.7633;-1.3157,-1.6162,4.0118;-.5245,-3.3639,2.3881;3.3678,-1.4269,2.2225;1.8247,-3.2841,1.5129;-1.4065,-.0776,1.354;-2.1521,-.3927,.3976;-1.7169,-1.0359,-.6872;-.4034,-1.3873,-1.0418;-2.4234,-1.2612,-1.3801;-.2574,-2.066,-2.2561;1.0066,-2.4096,-2.7178;2.1419,-2.067,-1.9794;1.987,-1.4144,-.7645;.7194,-1.0598,-.2436;.8559,.3897,.0491;-1.1398,-2.3233,-2.8485;1.1065,-2.9411,-3.6669;3.1381,-2.3165,-2.3504;2.8819,-1.1422,-.1981;-3.6011,-.0497,.4785;-4.0644,-.6457,1.2803;-4.1428,-.2292,-.4583;-3.7055,1.0052,.7681;1.0208,1.2737,.7927;.4267,2.4159,.7678;.4422,3.2276,2.0072;1.4876,3.4307,2.2872;-.0116,2.6403,2.8195;-.0921,4.1792,1.9001;-.1507,2.8645,-.3204;-.2426,2.2016,-1.5855;-.5875,3.7824,-.2528;.9099,1.7541,-2.2345;-1.5025,2.0707,-2.1715;-1.6088,1.4657,-3.4215;-.4663,.9989,-4.072;.7884,1.1448,-3.48;1.8949,1.9058,-1.7885;-2.3903,2.4585,-1.6649;-2.5869,1.3805,-3.9004;-.5518,.5406,-5.0597;1.6849,.8051,-4.0019;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.499395"
                              y3="-0.695746"
                              z3="1.841404"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.883705"
                              y3="-0.500264"
                              z3="3.510691"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.587385"
                              y3="-0.573494"
                              z3="4.090863"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.272468"
                              y3="-1.608825"
                              z3="3.689678"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.156862"
                              y3="-2.591269"
                              z3="2.746853"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.362439"
                              y3="-1.512174"
                              z3="2.640615"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.490877"
                              y3="-2.559179"
                              z3="2.258056"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.519492"
                              y3="0.363709"
                              z3="3.720237"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.233861"
                              y3="0.210536"
                              z3="4.76274"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.31395"
                              y3="-1.60406"
                              z3="4.020098"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.536583"
                              y3="-3.357348"
                              z3="2.395255"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.364873"
                              y3="-1.440261"
                              z3="2.215372"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.810008"
                              y3="-3.290635"
                              z3="1.512727"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.406698"
                              y3="-0.078414"
                              z3="1.352567"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.151657"
                              y3="-0.394413"
                              z3="0.395926"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.715336"
                              y3="-1.037556"
                              z3="-0.688491"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.401281"
                              y3="-1.387559"
                              z3="-1.042409"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.421302"
                              y3="-1.263604"
                              z3="-1.381664"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.254062"
                              y3="-2.066164"
                              z3="-2.256574"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.010534"
                              y3="-2.408472"
                              z3="-2.717686"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.145182"
                              y3="-2.064618"
                              z3="-1.978857"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.989033"
                              y3="-1.412019"
                              z3="-0.764099"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.72082"
                              y3="-1.058827"
                              z3="-0.243712"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.855894"
                              y3="0.390613"
                              z3="0.04943"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.135859"
                              y3="-2.324428"
                              z3="-2.849423"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.111392"
                              y3="-2.939933"
                              z3="-3.666734"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.141731"
                              y3="-2.313072"
                              z3="-2.349441"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.883381"
                              y3="-1.138716"
                              z3="-0.197397"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600914"
                              y3="-0.052756"
                              z3="0.476125"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.064129"
                              y3="-0.649265"
                              z3="1.277589"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.141957"
                              y3="-0.232488"
                              z3="-0.460966"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.706501"
                              y3="1.002067"
                              z3="0.765898"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.019928"
                              y3="1.27448"
                              z3="0.793377"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.425186"
                              y3="2.416438"
                              z3="0.768703"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.439949"
                              y3="3.227784"
                              z3="2.008298"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.485207"
                              y3="3.431161"
                              z3="2.288655"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.013862"
                              y3="2.640099"
                              z3="2.820254"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.094649"
                              y3="4.179204"
                              z3="1.901283"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.152294"
                              y3="2.864883"
                              z3="-0.319548"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.243745"
                              y3="2.202054"
                              z3="-1.584671"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.589668"
                              y3="3.782502"
                              z3="-0.251765"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.909048"
                              y3="1.755564"
                              z3="-2.233779"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.503627"
                              y3="2.070262"
                              z3="-2.170567"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.609548"
                              y3="1.465154"
                              z3="-3.420637"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.466681"
                              y3="0.999325"
                              z3="-4.07122"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.787898"
                              y3="1.1462"
                              z3="-3.47928"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.893963"
                              y3="1.907985"
                              z3="-1.787785"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.391648"
                              y3="2.457249"
                              z3="-1.663922"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.587613"
                              y3="1.379227"
                              z3="-3.899423"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.551871"
                              y3="0.540933"
                              z3="-5.058885"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.684716"
                              y3="0.807238"
                              z3="-4.001288"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4994,-.6957,1.8414;1.8837,-.5003,3.5107;.5874,-.5735,4.0909;-.2725,-1.6088,3.6897;.1569,-2.5913,2.7469;2.3624,-1.5122,2.6406;1.4909,-2.5592,2.2581;2.5195,.3637,3.7202;.2339,.2105,4.7627;-1.3139,-1.6041,4.0201;-.5366,-3.3573,2.3953;3.3649,-1.4403,2.2154;1.81,-3.2906,1.5127;-1.4067,-.0784,1.3526;-2.1517,-.3944,.3959;-1.7153,-1.0376,-.6885;-.4013,-1.3876,-1.0424;-2.4213,-1.2636,-1.3817;-.2541,-2.0662,-2.2566;1.0105,-2.4085,-2.7177;2.1452,-2.0646,-1.9789;1.989,-1.412,-.7641;.7208,-1.0588,-.2437;.8559,.3906,.0494;-1.1359,-2.3244,-2.8494;1.1114,-2.9399,-3.6667;3.1417,-2.3131,-2.3494;2.8834,-1.1387,-.1974;-3.6009,-.0528,.4761;-4.0641,-.6493,1.2776;-4.142,-.2325,-.461;-3.7065,1.0021,.7659;1.0199,1.2745,.7934;.4252,2.4164,.7687;.4399,3.2278,2.0083;1.4852,3.4312,2.2887;-.0139,2.6401,2.8203;-.0946,4.1792,1.9013;-.1523,2.8649,-.3195;-.2437,2.2021,-1.5847;-.5897,3.7825,-.2518;.909,1.7556,-2.2338;-1.5036,2.0703,-2.1706;-1.6095,1.4652,-3.4206;-.4667,.9993,-4.0712;.7879,1.1462,-3.4793;1.894,1.908,-1.7878;-2.3916,2.4572,-1.6639;-2.5876,1.3792,-3.8994;-.5519,.5409,-5.0589;1.6847,.8072,-4.0013;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.499254"
                              y3="-0.695465"
                              z3="1.841202"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.889172"
                              y3="-0.504066"
                              z3="3.505786"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.594132"
                              y3="-0.570099"
                              z3="4.090372"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.271853"
                              y3="-1.601905"
                              z3="3.694216"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.149629"
                              y3="-2.587564"
                              z3="2.750912"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.360311"
                              y3="-1.519844"
                              z3="2.636383"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.482108"
                              y3="-2.562999"
                              z3="2.25787"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.529781"
                              y3="0.357171"
                              z3="3.711856"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.246715"
                              y3="0.216753"
                              z3="4.762152"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.312096"
                              y3="-1.591851"
                              z3="4.02838"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.548752"
                              y3="-3.350592"
                              z3="2.402441"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.361882"
                              y3="-1.453826"
                              z3="2.208202"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.795178"
                              y3="-3.297098"
                              z3="1.512561"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.406843"
                              y3="-0.079141"
                              z3="1.351136"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.151147"
                              y3="-0.396085"
                              z3="0.394298"/>
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                              id="a16"
                              x3="-1.713772"
                              y3="-1.039173"
                              z3="-0.689713"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.399179"
                              y3="-1.387787"
                              z3="-1.043018"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.419204"
                              y3="-1.266074"
                              z3="-1.383149"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.250692"
                              y3="-2.066333"
                              z3="-2.257047"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.014478"
                              y3="-2.407342"
                              z3="-2.717579"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.14842"
                              y3="-2.062166"
                              z3="-1.978306"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.991042"
                              y3="-1.409606"
                              z3="-0.763671"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.722233"
                              y3="-1.057789"
                              z3="-0.243845"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.85587"
                              y3="0.391556"
                              z3="0.049794"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.131951"
                              y3="-2.325574"
                              z3="-2.850271"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.116319"
                              y3="-2.938788"
                              z3="-3.66653"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.145403"
                              y3="-2.309534"
                              z3="-2.348445"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.88485"
                              y3="-1.135153"
                              z3="-0.196701"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600747"
                              y3="-0.05574"
                              z3="0.473803"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.063837"
                              y3="-0.652785"
                              z3="1.274944"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.141142"
                              y3="-0.235835"
                              z3="-0.463594"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.707429"
                              y3="0.998942"
                              z3="0.763673"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.019013"
                              y3="1.275331"
                              z3="0.794086"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.423608"
                              y3="2.416937"
                              z3="0.769576"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.437633"
                              y3="3.227982"
                              z3="2.009375"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.482707"
                              y3="3.431677"
                              z3="2.290176"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.016238"
                              y3="2.639895"
                              z3="2.821009"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.097317"
                              y3="4.17921"
                              z3="1.902425"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.153964"
                              y3="2.865279"
                              z3="-0.31867"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.244936"
                              y3="2.202525"
                              z3="-1.583865"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.591888"
                              y3="3.782627"
                              z3="-0.250781"/>
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                              x3="0.90819"
                              y3="1.757016"
                              z3="-2.233051"/>
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                              x3="-1.504736"
                              y3="2.069738"
                              z3="-2.16971"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.610222"
                              y3="1.464596"
                              z3="-3.419802"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.467006"
                              y3="0.999717"
                              z3="-4.070453"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.787483"
                              y3="1.147603"
                              z3="-3.47857"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.892995"
                              y3="1.910214"
                              z3="-1.787079"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.393045"
                              y3="2.455977"
                              z3="-1.6630"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.588241"
                              y3="1.377894"
                              z3="-3.898544"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.551867"
                              y3="0.541289"
                              z3="-5.05813"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.684553"
                              y3="0.809389"
                              z3="-4.00063"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4993,-.6955,1.8412;1.8892,-.5041,3.5058;.5941,-.5701,4.0904;-.2719,-1.6019,3.6942;.1496,-2.5876,2.7509;2.3603,-1.5198,2.6364;1.4821,-2.563,2.2579;2.5298,.3572,3.7119;.2467,.2168,4.7622;-1.3121,-1.5919,4.0284;-.5488,-3.3506,2.4024;3.3619,-1.4538,2.2082;1.7952,-3.2971,1.5126;-1.4068,-.0791,1.3511;-2.1511,-.3961,.3943;-1.7138,-1.0392,-.6897;-.3992,-1.3878,-1.043;-2.4192,-1.2661,-1.3831;-.2507,-2.0663,-2.257;1.0145,-2.4073,-2.7176;2.1484,-2.0622,-1.9783;1.991,-1.4096,-.7637;.7222,-1.0578,-.2438;.8559,.3916,.0498;-1.132,-2.3256,-2.8503;1.1163,-2.9388,-3.6665;3.1454,-2.3095,-2.3484;2.8849,-1.1352,-.1967;-3.6007,-.0557,.4738;-4.0638,-.6528,1.2749;-4.1411,-.2358,-.4636;-3.7074,.9989,.7637;1.019,1.2753,.7941;.4236,2.4169,.7696;.4376,3.228,2.0094;1.4827,3.4317,2.2902;-.0162,2.6399,2.821;-.0973,4.1792,1.9024;-.154,2.8653,-.3187;-.2449,2.2025,-1.5839;-.5919,3.7826,-.2508;.9082,1.757,-2.2331;-1.5047,2.0697,-2.1697;-1.6102,1.4646,-3.4198;-.467,.9997,-4.0705;.7875,1.1476,-3.4786;1.893,1.9102,-1.7871;-2.393,2.456,-1.663;-2.5882,1.3779,-3.8985;-.5519,.5413,-5.0581;1.6846,.8094,-4.0006;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.499141"
                              y3="-0.695163"
                              z3="1.841031"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.894704"
                              y3="-0.508019"
                              z3="3.500878"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.600999"
                              y3="-0.566782"
                              z3="4.089882"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.271166"
                              y3="-1.594958"
                              z3="3.698766"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.14236"
                              y3="-2.583795"
                              z3="2.75497"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.358127"
                              y3="-1.527623"
                              z3="2.632118"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.473237"
                              y3="-2.566824"
                              z3="2.257663"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.540182"
                              y3="0.350395"
                              z3="3.703484"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.259775"
                              y3="0.222865"
                              z3="4.761572"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.31012"
                              y3="-1.579562"
                              z3="4.0367"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.560998"
                              y3="-3.343674"
                              z3="2.409619"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.358782"
                              y3="-1.467557"
                              z3="2.200973"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.780162"
                              y3="-3.303529"
                              z3="1.512361"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.406958"
                              y3="-0.079831"
                              z3="1.349713"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.15062"
                              y3="-0.397742"
                              z3="0.392699"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.712205"
                              y3="-1.040798"
                              z3="-0.690896"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.397075"
                              y3="-1.388006"
                              z3="-1.043596"/>
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                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
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                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="-0.695185"
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                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4988,-.6952,1.8409;1.8998,-.5113,3.496;.6076,-.5636,4.0894;-.2701,-1.5887,3.7034;.1362,-2.5805,2.7593;2.3562,-1.5344,2.628;1.4654,-2.5703,2.2577;2.5496,.3447,3.6951;.272,.2287,4.7609;-1.3077,-1.5686,4.045;-.5716,-3.3377,2.4172;3.3559,-1.4796,2.1939;1.7666,-3.3095,1.5126;-1.4074,-.081,1.3486;-2.1504,-.3995,.3913;-1.711,-1.0422,-.6921;-.3954,-1.3882,-1.0442;-2.4154,-1.2705,-1.3861;-.2445,-2.0665,-2.2581;1.0217,-2.405,-2.7176;2.1543,-2.0574,-1.9774;1.9946,-1.4051,-.7629;.7247,-1.0559,-.2441;.8556,.3933,.0506;-1.1248,-2.3275,-2.852;1.1254,-2.9363,-3.6664;3.1521,-2.3027,-2.3467;2.8874,-1.1285,-.1954;-3.6007,-.0615,.4695;-4.0636,-.6596,1.2699;-4.1398,-.2422,-.4686;-3.7094,.9929,.7596;1.0169,1.2769,.7957;.4203,2.4178,.7713;.4328,3.2284,2.0115;1.4774,3.4326,2.2933;-.0215,2.6397,2.8225;-.1027,4.1793,1.9045;-.1572,2.866,-.317;-.247,2.2034,-1.5824;-.5961,3.7828,-.249;.9068,1.7598,-2.2315;-1.5066,2.0687,-2.1684;-1.611,1.4636,-3.4185;-.467,1.0006,-4.0691;.7872,1.1503,-3.4771;1.8913,1.9144,-1.7854;-2.3955,2.4535,-1.6617;-2.5888,1.3754,-3.8974;-.5511,.5421,-5.0569;1.6848,.8136,-3.9992;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.49861"
                              y3="-0.694933"
                              z3="1.840683"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.905263"
                              y3="-0.515103"
                              z3="3.491082"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.614443"
                              y3="-0.560387"
                              z3="4.088856"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.269144"
                              y3="-1.581937"
                              z3="3.70792"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.129334"
                              y3="-2.576797"
                              z3="2.763496"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.35405"
                              y3="-1.541873"
                              z3="2.623703"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.456804"
                              y3="-2.573888"
                              z3="2.257589"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.559684"
                              y3="0.338139"
                              z3="3.68667"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.284945"
                              y3="0.234567"
                              z3="4.760174"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.305418"
                              y3="-1.556719"
                              z3="4.053364"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.583236"
                              y3="-3.330983"
                              z3="2.42456"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.352679"
                              y3="-1.492819"
                              z3="2.186593"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.75202"
                              y3="-3.315589"
                              z3="1.512502"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.407647"
                              y3="-0.081758"
                              z3="1.347345"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.150033"
                              y3="-0.401078"
                              z3="0.389815"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.70962"
                              y3="-1.043709"
                              z3="-0.693199"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.393513"
                              y3="-1.388355"
                              z3="-1.04478"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.413498"
                              y3="-1.272842"
                              z3="-1.387476"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.241454"
                              y3="-2.066557"
                              z3="-2.25852"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.025324"
                              y3="-2.403841"
                              z3="-2.71747"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.15726"
                              y3="-2.055015"
                              z3="-1.976914"/>
                        <atom elementType="C"
                              id="a22"
                              x3="1.996415"
                              y3="-1.402744"
                              z3="-0.762539"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.725941"
                              y3="-1.054915"
                              z3="-0.244198"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.855532"
                              y3="0.394173"
                              z3="0.051045"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.121191"
                              y3="-2.328475"
                              z3="-2.852828"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.129931"
                              y3="-2.935116"
                              z3="-3.666213"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.155465"
                              y3="-2.299233"
                              z3="-2.345846"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.888704"
                              y3="-1.125049"
                              z3="-0.194842"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600582"
                              y3="-0.064376"
                              z3="0.467323"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.063364"
                              y3="-0.662907"
                              z3="1.267543"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.139131"
                              y3="-0.245445"
                              z3="-0.470948"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.710303"
                              y3="0.989912"
                              z3="0.757466"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.016032"
                              y3="1.277682"
                              z3="0.796422"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.418648"
                              y3="2.418237"
                              z3="0.772211"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.430179"
                              y3="3.22846"
                              z3="2.012572"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.474636"
                              y3="3.432945"
                              z3="2.295049"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.024272"
                              y3="2.639323"
                              z3="2.823128"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.10561"
                              y3="4.179205"
                              z3="1.905556"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.158943"
                              y3="2.866238"
                              z3="-0.316173"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.248142"
                              y3="2.203757"
                              z3="-1.581634"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.598508"
                              y3="3.782784"
                              z3="-0.248089"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.906155"
                              y3="1.761213"
                              z3="-2.230761"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.507525"
                              y3="2.068079"
                              z3="-2.167705"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.611363"
                              y3="1.462964"
                              z3="-3.417948"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.466931"
                              y3="1.00097"
                              z3="-4.06852"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.787117"
                              y3="1.151783"
                              z3="-3.47643"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.890504"
                              y3="1.916669"
                              z3="-1.78456"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.39683"
                              y3="2.452058"
                              z3="-1.661023"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.589103"
                              y3="1.37401"
                              z3="-3.896851"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.550533"
                              y3="0.542541"
                              z3="-5.056304"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.685078"
                              y3="0.81584"
                              z3="-3.998426"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4986,-.6949,1.8407;1.9053,-.5151,3.4911;.6144,-.5604,4.0889;-.2691,-1.5819,3.7079;.1293,-2.5768,2.7635;2.354,-1.5419,2.6237;1.4568,-2.5739,2.2576;2.5597,.3381,3.6867;.2849,.2346,4.7602;-1.3054,-1.5567,4.0534;-.5832,-3.331,2.4246;3.3527,-1.4928,2.1866;1.752,-3.3156,1.5125;-1.4076,-.0818,1.3473;-2.15,-.4011,.3898;-1.7096,-1.0437,-.6932;-.3935,-1.3884,-1.0448;-2.4135,-1.2728,-1.3875;-.2415,-2.0666,-2.2585;1.0253,-2.4038,-2.7175;2.1573,-2.055,-1.9769;1.9964,-1.4027,-.7625;.7259,-1.0549,-.2442;.8555,.3942,.051;-1.1212,-2.3285,-2.8528;1.1299,-2.9351,-3.6662;3.1555,-2.2992,-2.3458;2.8887,-1.125,-.1948;-3.6006,-.0644,.4673;-4.0634,-.6629,1.2675;-4.1391,-.2454,-.4709;-3.7103,.9899,.7575;1.016,1.2777,.7964;.4186,2.4182,.7722;.4302,3.2285,2.0126;1.4746,3.4329,2.295;-.0243,2.6393,2.8231;-.1056,4.1792,1.9056;-.1589,2.8662,-.3162;-.2481,2.2038,-1.5816;-.5985,3.7828,-.2481;.9062,1.7612,-2.2308;-1.5075,2.0681,-2.1677;-1.6114,1.463,-3.4179;-.4669,1.001,-4.0685;.7871,1.1518,-3.4764;1.8905,1.9167,-1.7846;-2.3968,2.4521,-1.661;-2.5891,1.374,-3.8969;-.5505,.5425,-5.0563;1.6851,.8158,-3.9984;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.498474"
                              y3="-0.694647"
                              z3="1.840546"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.910755"
                              y3="-0.519084"
                              z3="3.486174"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.62144"
                              y3="-0.557279"
                              z3="4.088331"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.268141"
                              y3="-1.575167"
                              z3="3.712446"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.122429"
                              y3="-2.573033"
                              z3="2.767593"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.351833"
                              y3="-1.549454"
                              z3="2.619412"/>
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                              id="a7"
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                        <bond atomRefs2="a29 a31" order="S"/>
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                        <bond atomRefs2="a34 a39" order="S"/>
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                        <bond atomRefs2="a35 a37" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
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                     </formula>
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                        <scalar units="unit:dalton">425.3175999999998</scalar>
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                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4984,-.6943,1.8404;1.9162,-.5232,3.4813;.6285,-.5543,4.0878;-.2671,-1.5685,3.7169;.1155,-2.5693,2.7716;2.3496,-1.5571,2.6151;1.4394,-2.5811,2.2572;2.5801,.3243,3.6701;.3113,.2459,4.7589;-1.3005,-1.5329,4.0699;-.6067,-3.317,2.4389;3.346,-1.5196,2.172;1.7223,-3.3276,1.5122;-1.4079,-.083,1.3448;-2.1492,-.4042,.387;-1.7068,-1.0468,-.6953;-.3897,-1.3887,-1.0458;-2.4097,-1.2776,-1.39;-.2353,-2.0667,-2.2593;1.0326,-2.4015,-2.7172;2.1632,-2.05,-1.9759;2,-1.3978,-.7617;.7285,-1.0528,-.2444;.8553,.3961,.0519;-1.114,-2.3306,-2.8542;1.139,-2.9327,-3.6657;3.1622,-2.292,-2.3441;2.8913,-1.1178,-.1937;-3.6003,-.07,.4633;-4.0628,-.6692,1.2632;-4.1378,-.2521,-.4754;-3.7121,.9841,.7532;1.0142,1.2794,.7978;.4152,2.4191,.7739;.4248,3.2288,2.0146;1.4688,3.4337,2.2985;-.0303,2.6389,2.8243;-.1115,4.1792,1.9075;-.1625,2.8668,-.3146;-.2504,2.2046,-1.5803;-.6034,3.7827,-.2464;.9048,1.7642,-2.2293;-1.5094,2.0667,-2.1666;-1.612,1.4616,-3.4169;-.4666,1.0017,-4.0673;.7871,1.1547,-3.4751;1.8888,1.9213,-1.7829;-2.3995,2.449,-1.66;-2.5895,1.3709,-3.896;-.5492,.5432,-5.0552;1.6857,.8204,-3.9969;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.498232"
                              y3="-0.694011"
                              z3="1.840395"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.921676"
                              y3="-0.527403"
                              z3="3.476549"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.635477"
                              y3="-0.551479"
                              z3="4.087324"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.266012"
                              y3="-1.561852"
                              z3="3.721352"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.10871"
                              y3="-2.565482"
                              z3="2.775584"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.347248"
                              y3="-1.56469"
                              z3="2.610879"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.430681"
                              y3="-2.584642"
                              z3="2.256919"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.590238"
                              y3="0.317074"
                              z3="3.661999"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.324464"
                              y3="0.251222"
                              z3="4.758297"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.297929"
                              y3="-1.521094"
                              z3="4.07811"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.6183"
                              y3="-3.309968"
                              z3="2.445916"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.342535"
                              y3="-1.532957"
                              z3="2.164765"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.707507"
                              y3="-3.333472"
                              z3="1.511893"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.40807"
                              y3="-0.083625"
                              z3="1.343554"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148705"
                              y3="-0.405751"
                              z3="0.38562"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.705426"
                              y3="-1.048302"
                              z3="-0.696232"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.387817"
                              y3="-1.388827"
                              z3="-1.046216"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.407851"
                              y3="-1.279988"
                              z3="-1.391128"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.23218"
                              y3="-2.066853"
                              z3="-2.259553"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.036221"
                              y3="-2.400252"
                              z3="-2.71698"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.166145"
                              y3="-2.047401"
                              z3="-1.975348"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.001821"
                              y3="-1.395249"
                              z3="-0.761326"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.729681"
                              y3="-1.051626"
                              z3="-0.244395"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.85522"
                              y3="0.39708"
                              z3="0.052296"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.110391"
                              y3="-2.33171"
                              z3="-2.854818"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.1436"
                              y3="-2.931507"
                              z3="-3.665423"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.165573"
                              y3="-2.288308"
                              z3="-2.343138"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.892571"
                              y3="-1.113963"
                              z3="-0.193066"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.6002"
                              y3="-0.072759"
                              z3="0.461283"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062423"
                              y3="-0.672281"
                              z3="1.261091"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.137128"
                              y3="-0.25543"
                              z3="-0.477607"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.712962"
                              y3="0.981308"
                              z3="0.751042"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.013226"
                              y3="1.280337"
                              z3="0.798485"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.413467"
                              y3="2.419637"
                              z3="0.774631"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.422132"
                              y3="3.228986"
                              z3="2.015584"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.465873"
                              y3="3.434121"
                              z3="2.300174"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.033317"
                              y3="2.638831"
                              z3="2.824854"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.11435"
                              y3="4.179311"
                              z3="1.908318"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.164306"
                              y3="2.867129"
                              z3="-0.31388"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.251467"
                              y3="2.204934"
                              z3="-1.579626"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.605845"
                              y3="3.782705"
                              z3="-0.245572"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.904166"
                              y3="1.765672"
                              z3="-2.228591"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.510341"
                              y3="2.06599"
                              z3="-2.16602"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.612256"
                              y3="1.460824"
                              z3="-3.416399"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.466433"
                              y3="1.002008"
                              z3="-4.066776"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.787074"
                              y3="1.156142"
                              z3="-3.474391"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.887969"
                              y3="1.923679"
                              z3="-1.78208"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.400786"
                              y3="2.447476"
                              z3="-1.65946"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.589646"
                              y3="1.369314"
                              z3="-3.895538"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.548567"
                              y3="0.543499"
                              z3="-5.054646"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.686061"
                              y3="0.822715"
                              z3="-3.996234"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4982,-.694,1.8404;1.9217,-.5274,3.4765;.6355,-.5515,4.0873;-.266,-1.5619,3.7214;.1087,-2.5655,2.7756;2.3472,-1.5647,2.6109;1.4307,-2.5846,2.2569;2.5902,.3171,3.662;.3245,.2512,4.7583;-1.2979,-1.5211,4.0781;-.6183,-3.31,2.4459;3.3425,-1.533,2.1648;1.7075,-3.3335,1.5119;-1.4081,-.0836,1.3436;-2.1487,-.4058,.3856;-1.7054,-1.0483,-.6962;-.3878,-1.3888,-1.0462;-2.4079,-1.28,-1.3911;-.2322,-2.0669,-2.2596;1.0362,-2.4003,-2.717;2.1661,-2.0474,-1.9753;2.0018,-1.3952,-.7613;.7297,-1.0516,-.2444;.8552,.3971,.0523;-1.1104,-2.3317,-2.8548;1.1436,-2.9315,-3.6654;3.1656,-2.2883,-2.3431;2.8926,-1.114,-.1931;-3.6002,-.0728,.4613;-4.0624,-.6723,1.2611;-4.1371,-.2554,-.4776;-3.713,.9813,.751;1.0132,1.2803,.7985;.4135,2.4196,.7746;.4221,3.229,2.0156;1.4659,3.4341,2.3002;-.0333,2.6388,2.8249;-.1143,4.1793,1.9083;-.1643,2.8671,-.3139;-.2515,2.2049,-1.5796;-.6058,3.7827,-.2456;.9042,1.7657,-2.2286;-1.5103,2.066,-2.166;-1.6123,1.4608,-3.4164;-.4664,1.002,-4.0668;.7871,1.1561,-3.4744;1.888,1.9237,-1.7821;-2.4008,2.4475,-1.6595;-2.5896,1.3693,-3.8955;-.5486,.5435,-5.0546;1.6861,.8227,-3.9962;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.498097"
                              y3="-0.693667"
                              z3="1.84038"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.926991"
                              y3="-0.531648"
                              z3="3.471897"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.64238"
                              y3="-0.548827"
                              z3="4.08685"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.264912"
                              y3="-1.555426"
                              z3="3.725668"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.102013"
                              y3="-2.561767"
                              z3="2.779425"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.344904"
                              y3="-1.572189"
                              z3="2.606697"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.42208"
                              y3="-2.588087"
                              z3="2.256627"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.600161"
                              y3="0.309856"
                              z3="3.654133"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.337438"
                              y3="0.256288"
                              z3="4.757736"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.295331"
                              y3="-1.509619"
                              z3="4.086104"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.629693"
                              y3="-3.30296"
                              z3="2.452713"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.339009"
                              y3="-1.546072"
                              z3="2.157633"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.692865"
                              y3="-3.339106"
                              z3="1.511584"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.4082"
                              y3="-0.084157"
                              z3="1.342324"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148273"
                              y3="-0.407243"
                              z3="0.384285"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.704071"
                              y3="-1.049825"
                              z3="-0.69716"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.385968"
                              y3="-1.388972"
                              z3="-1.046623"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.406022"
                              y3="-1.282383"
                              z3="-1.39224"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.229139"
                              y3="-2.066966"
                              z3="-2.259808"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.039804"
                              y3="-2.399042"
                              z3="-2.71674"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.169056"
                              y3="-2.044788"
                              z3="-1.974782"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.003569"
                              y3="-1.392656"
                              z3="-0.76089"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.730874"
                              y3="-1.050472"
                              z3="-0.244414"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.855104"
                              y3="0.398078"
                              z3="0.052739"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.106841"
                              y3="-2.332842"
                              z3="-2.85537"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.148107"
                              y3="-2.930313"
                              z3="-3.665067"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.168891"
                              y3="-2.284559"
                              z3="-2.342206"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.893803"
                              y3="-1.110116"
                              z3="-0.192471"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.60007"
                              y3="-0.075443"
                              z3="0.459337"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062102"
                              y3="-0.675196"
                              z3="1.259083"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.136486"
                              y3="-0.258726"
                              z3="-0.479726"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.713806"
                              y3="0.978583"
                              z3="0.748861"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.012331"
                              y3="1.281259"
                              z3="0.799149"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.411799"
                              y3="2.420148"
                              z3="0.775375"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.419531"
                              y3="3.229261"
                              z3="2.016489"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.463037"
                              y3="3.434543"
                              z3="2.301811"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.036329"
                              y3="2.638845"
                              z3="2.825342"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.117104"
                              y3="4.179482"
                              z3="1.909074"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.166045"
                              y3="2.867435"
                              z3="-0.313188"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.252548"
                              y3="2.205299"
                              z3="-1.579007"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.608226"
                              y3="3.782697"
                              z3="-0.244835"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.903519"
                              y3="1.767118"
                              z3="-2.227926"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.511259"
                              y3="2.065248"
                              z3="-2.165487"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.61255"
                              y3="1.460035"
                              z3="-3.415895"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.466275"
                              y3="1.002269"
                              z3="-4.066215"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.787058"
                              y3="1.157527"
                              z3="-3.473753"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.887144"
                              y3="1.925989"
                              z3="-1.781329"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.402076"
                              y3="2.445914"
                              z3="-1.658964"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.589829"
                              y3="1.36766"
                              z3="-3.895095"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.547933"
                              y3="0.54371"
                              z3="-5.054101"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.68638"
                              y3="0.824931"
                              z3="-3.995552"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4981,-.6937,1.8404;1.927,-.5316,3.4719;.6424,-.5488,4.0869;-.2649,-1.5554,3.7257;.102,-2.5618,2.7794;2.3449,-1.5722,2.6067;1.4221,-2.5881,2.2566;2.6002,.3099,3.6541;.3374,.2563,4.7577;-1.2953,-1.5096,4.0861;-.6297,-3.303,2.4527;3.339,-1.5461,2.1576;1.6929,-3.3391,1.5116;-1.4082,-.0842,1.3423;-2.1483,-.4072,.3843;-1.7041,-1.0498,-.6972;-.386,-1.389,-1.0466;-2.406,-1.2824,-1.3922;-.2291,-2.067,-2.2598;1.0398,-2.399,-2.7167;2.1691,-2.0448,-1.9748;2.0036,-1.3927,-.7609;.7309,-1.0505,-.2444;.8551,.3981,.0527;-1.1068,-2.3328,-2.8554;1.1481,-2.9303,-3.6651;3.1689,-2.2846,-2.3422;2.8938,-1.1101,-.1925;-3.6001,-.0754,.4593;-4.0621,-.6752,1.2591;-4.1365,-.2587,-.4797;-3.7138,.9786,.7489;1.0123,1.2813,.7991;.4118,2.4201,.7754;.4195,3.2293,2.0165;1.463,3.4345,2.3018;-.0363,2.6388,2.8253;-.1171,4.1795,1.9091;-.166,2.8674,-.3132;-.2525,2.2053,-1.579;-.6082,3.7827,-.2448;.9035,1.7671,-2.2279;-1.5113,2.0652,-2.1655;-1.6125,1.46,-3.4159;-.4663,1.0023,-4.0662;.7871,1.1575,-3.4738;1.8871,1.926,-1.7813;-2.4021,2.4459,-1.659;-2.5898,1.3677,-3.8951;-.5479,.5437,-5.0541;1.6864,.8249,-3.9956;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.49792"
                              y3="-0.693319"
                              z3="1.840397"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.932056"
                              y3="-0.535812"
                              z3="3.467444"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.649016"
                              y3="-0.546377"
                              z3="4.086397"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.263829"
                              y3="-1.549302"
                              z3="3.729802"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.095581"
                              y3="-2.558186"
                              z3="2.783098"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.342567"
                              y3="-1.579399"
                              z3="2.602661"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.413756"
                              y3="-2.591361"
                              z3="2.256316"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.609648"
                              y3="0.302789"
                              z3="3.646613"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.349929"
                              y3="0.261008"
                              z3="4.757207"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.292767"
                              y3="-1.498664"
                              z3="4.093784"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.640629"
                              y3="-3.296166"
                              z3="2.459215"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.335484"
                              y3="-1.558655"
                              z3="2.150738"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.678707"
                              y3="-3.344428"
                              z3="1.511244"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.40836"
                              y3="-0.084649"
                              z3="1.341123"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.147878"
                              y3="-0.408682"
                              z3="0.38298"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.702774"
                              y3="-1.051316"
                              z3="-0.698055"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.384187"
                              y3="-1.389114"
                              z3="-1.047003"/>
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                        <bond atomRefs2="a29 a32" order="S"/>
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                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
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                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
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                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4977,-.693,1.8404;1.9367,-.5397,3.4633;.6551,-.5442,4.086;-.2628,-1.5437,3.7336;.0897,-2.5549,2.7865;2.3403,-1.586,2.5989;1.406,-2.5943,2.256;2.6183,.2962,3.6396;.3615,.2653,4.7567;-1.2903,-1.4887,4.1009;-.6507,-3.2899,2.4653;3.3321,-1.5702,2.1443;1.6656,-3.3492,1.5109;-1.4086,-.0851,1.34;-2.1476,-.41,.3817;-1.7016,-1.0527,-.6989;-.3826,-1.3893,-1.0474;-2.4026,-1.287,-1.3943;-.2234,-2.0672,-2.2602;1.0466,-2.3967,-2.7162;2.1745,-2.0397,-1.9736;2.0068,-1.3876,-.76;.733,-1.0482,-.2444;.8549,.4,.0536;-1.1001,-2.3351,-2.8564;1.1566,-2.9281,-3.6643;3.1751,-2.2773,-2.3404;2.896,-1.1026,-.1913;-3.5999,-.0805,.4556;-4.0616,-.6806,1.2552;-4.1353,-.2649,-.4838;-3.7155,.9735,.7446;1.0108,1.283,.8004;.4089,2.4212,.7767;.415,3.2299,2.0181;1.4581,3.4354,2.3047;-.0417,2.6391,2.8262;-.1218,4.18,1.9103;-.1691,2.868,-.3119;-.2545,2.2059,-1.5778;-.6125,3.7827,-.2435;.9023,1.7697,-2.2267;-1.513,2.0638,-2.1644;-1.6132,1.4585,-3.4148;-.4661,1.0026,-4.0651;.7869,1.16,-3.4726;1.8856,1.9302,-1.78;-2.4044,2.443,-1.6579;-2.5903,1.3645,-3.894;-.547,.544,-5.053;1.6868,.8289,-3.9944;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.497315"
                              y3="-0.692704"
                              z3="1.840424"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.940517"
                              y3="-0.542867"
                              z3="3.459697"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.660297"
                              y3="-0.542281"
                              z3="4.085542"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.261859"
                              y3="-1.538968"
                              z3="3.736921"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.084743"
                              y3="-2.552066"
                              z3="2.789522"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.338338"
                              y3="-1.591463"
                              z3="2.595618"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.399467"
                              y3="-2.596769"
                              z3="2.255754"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.625564"
                              y3="0.290768"
                              z3="3.633551"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.371208"
                              y3="0.2689"
                              z3="4.756189"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.288146"
                              y3="-1.480251"
                              z3="4.107084"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.659083"
                              y3="-3.284579"
                              z3="2.470618"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.329071"
                              y3="-1.579737"
                              z3="2.138675"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.654419"
                              y3="-3.353254"
                              z3="1.510659"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.408924"
                              y3="-0.085585"
                              z3="1.338988"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.147406"
                              y3="-0.411244"
                              z3="0.380601"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.700666"
                              y3="-1.053962"
                              z3="-0.699716"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.381221"
                              y3="-1.3894"
                              z3="-1.047715"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.401307"
                              y3="-1.288881"
                              z3="-1.395317"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.221102"
                              y3="-2.067356"
                              z3="-2.260444"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.049332"
                              y3="-2.395792"
                              z3="-2.71599"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.176715"
                              y3="-2.037619"
                              z3="-1.973155"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.0080"
                              y3="-1.38554"
                              z3="-0.759632"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.733779"
                              y3="-1.047333"
                              z3="-0.244423"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.854879"
                              y3="0.400734"
                              z3="0.054012"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.09739"
                              y3="-2.336066"
                              z3="-2.856818"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.160191"
                              y3="-2.92714"
                              z3="-3.663977"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.177672"
                              y3="-2.274237"
                              z3="-2.339563"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.896805"
                              y3="-1.099491"
                              z3="-0.190795"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600004"
                              y3="-0.082593"
                              z3="0.453877"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.061621"
                              y3="-0.682922"
                              z3="1.253435"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.134963"
                              y3="-0.267513"
                              z3="-0.485696"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.716334"
                              y3="0.971332"
                              z3="0.742731"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.010376"
                              y3="1.283727"
                              z3="0.800983"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.407897"
                              y3="2.421587"
                              z3="0.777354"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.413389"
                              y3="3.230249"
                              z3="2.018778"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.456329"
                              y3="3.435775"
                              z3="2.305934"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.043615"
                              y3="2.639355"
                              z3="2.826653"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.123485"
                              y3="4.180279"
                              z3="1.910869"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.170248"
                              y3="2.868248"
                              z3="-0.31132"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.255224"
                              y3="2.206164"
                              z3="-1.577264"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.614049"
                              y3="3.782717"
                              z3="-0.242884"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.90187"
                              y3="1.77075"
                              z3="-2.226202"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.513592"
                              y3="2.063228"
                              z3="-2.163783"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.613448"
                              y3="1.457836"
                              z3="-3.414222"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.466098"
                              y3="1.002754"
                              z3="-4.064531"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.786864"
                              y3="1.160947"
                              z3="-3.472056"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.885093"
                              y3="1.931866"
                              z3="-1.779524"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.405293"
                              y3="2.441806"
                              z3="-1.657253"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.590504"
                              y3="1.363199"
                              z3="-3.893435"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.546664"
                              y3="0.544026"
                              z3="-5.052428"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.68697"
                              y3="0.830476"
                              z3="-3.993852"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4973,-.6927,1.8404;1.9405,-.5429,3.4597;.6603,-.5423,4.0855;-.2619,-1.539,3.7369;.0847,-2.5521,2.7895;2.3383,-1.5915,2.5956;1.3995,-2.5968,2.2558;2.6256,.2908,3.6336;.3712,.2689,4.7562;-1.2881,-1.4803,4.1071;-.6591,-3.2846,2.4706;3.3291,-1.5797,2.1387;1.6544,-3.3533,1.5107;-1.4089,-.0856,1.339;-2.1474,-.4112,.3806;-1.7007,-1.054,-.6997;-.3812,-1.3894,-1.0477;-2.4013,-1.2889,-1.3953;-.2211,-2.0674,-2.2604;1.0493,-2.3958,-2.716;2.1767,-2.0376,-1.9732;2.008,-1.3855,-.7596;.7338,-1.0473,-.2444;.8549,.4007,.054;-1.0974,-2.3361,-2.8568;1.1602,-2.9271,-3.664;3.1777,-2.2742,-2.3396;2.8968,-1.0995,-.1908;-3.6,-.0826,.4539;-4.0616,-.6829,1.2534;-4.135,-.2675,-.4857;-3.7163,.9713,.7427;1.0104,1.2837,.801;.4079,2.4216,.7774;.4134,3.2302,2.0188;1.4563,3.4358,2.3059;-.0436,2.6394,2.8267;-.1235,4.1803,1.9109;-.1702,2.8682,-.3113;-.2552,2.2062,-1.5773;-.614,3.7827,-.2429;.9019,1.7708,-2.2262;-1.5136,2.0632,-2.1638;-1.6134,1.4578,-3.4142;-.4661,1.0028,-4.0645;.7869,1.1609,-3.4721;1.8851,1.9319,-1.7795;-2.4053,2.4418,-1.6573;-2.5905,1.3632,-3.8934;-.5467,.544,-5.0524;1.687,.8305,-3.9939;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.496847"
                              y3="-0.692518"
                              z3="1.840317"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.943229"
                              y3="-0.544959"
                              z3="3.456831"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.664041"
                              y3="-0.540736"
                              z3="4.085101"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.261104"
                              y3="-1.535471"
                              z3="3.739406"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.081259"
                              y3="-2.54998"
                              z3="2.791954"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.336813"
                              y3="-1.595211"
                              z3="2.593084"/>
                        <atom elementType="C"
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                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
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                        <bond atomRefs2="a44 a45" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="0.832514"
                              z3="-3.992519"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4971,-.6926,1.8399;1.9457,-.5464,3.4546;.6672,-.5392,4.0845;-.2603,-1.5324,3.7412;.0788,-2.5482,2.7941;2.3361,-1.5982,2.5914;1.3914,-2.5998,2.2559;2.6349,.2844,3.6249;.3839,.2744,4.7547;-1.285,-1.4689,4.115;-.6694,-3.2777,2.4786;3.3254,-1.5918,2.1315;1.6405,-3.3587,1.5113;-1.4093,-.0864,1.3377;-2.1472,-.4129,.3791;-1.6996,-1.0555,-.7009;-.3797,-1.3898,-1.0485;-2.3998,-1.2912,-1.3967;-.2185,-2.0676,-2.2611;1.0524,-2.3949,-2.7162;2.1792,-2.0355,-1.9731;2.0094,-1.3835,-.7597;.7347,-1.0466,-.2448;.8546,.4015,.0542;-1.0944,-2.3372,-2.8577;1.164,-2.9262,-3.6641;3.1805,-2.271,-2.3393;2.8978,-1.0963,-.1907;-3.6001,-.0853,.4518;-4.0615,-.6858,1.2513;-4.1345,-.2708,-.488;-3.7173,.9686,.7403;1.0093,1.2846,.802;.4061,2.422,.7785;.4105,3.2303,2.0202;1.4532,3.436,2.3082;-.0469,2.6391,2.8275;-.1265,4.1803,1.9121;-.172,2.8685,-.3103;-.2561,2.2065,-1.5763;-.6164,3.7827,-.2418;.9015,1.7721,-2.225;-1.5142,2.0627,-2.1632;-1.6133,1.4573,-3.4137;-.4654,1.0031,-4.0637;.7873,1.1623,-3.4709;1.8845,1.9339,-1.7781;-2.4063,2.4405,-1.6568;-2.5901,1.3619,-3.8931;-.5454,.5444,-5.0517;1.6878,.8325,-3.9925;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.496681"
                              y3="-0.6927"
                              z3="1.839609"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.94665"
                              y3="-0.546478"
                              z3="3.452923"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.668745"
                              y3="-0.538164"
                              z3="4.084025"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.259633"
                              y3="-1.53104"
                              z3="3.742285"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.078136"
                              y3="-2.547399"
                              z3="2.795611"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.335691"
                              y3="-1.598988"
                              z3="2.590164"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.390148"
                              y3="-2.600232"
                              z3="2.256123"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.636548"
                              y3="0.284099"
                              z3="3.622111"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.386538"
                              y3="0.276102"
                              z3="4.753891"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.283862"
                              y3="-1.466783"
                              z3="4.117161"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.670782"
                              y3="-3.27672"
                              z3="2.481295"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.324688"
                              y3="-1.593483"
                              z3="2.129407"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.638171"
                              y3="-3.359689"
                              z3="1.511716"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.409752"
                              y3="-0.086884"
                              z3="1.337395"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.147531"
                              y3="-0.413362"
                              z3="0.378735"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.699732"
                              y3="-1.055843"
                              z3="-0.701298"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.379798"
                              y3="-1.389876"
                              z3="-1.048818"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.399864"
                              y3="-1.291551"
                              z3="-1.397144"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.218514"
                              y3="-2.06769"
                              z3="-2.261453"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.052446"
                              y3="-2.394769"
                              z3="-2.716555"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.179163"
                              y3="-2.03526"
                              z3="-1.973392"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.009305"
                              y3="-1.383328"
                              z3="-0.759935"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.734552"
                              y3="-1.046618"
                              z3="-0.245106"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.854431"
                              y3="0.401453"
                              z3="0.054187"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.0943"
                              y3="-2.337374"
                              z3="-2.858126"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.164209"
                              y3="-2.926048"
                              z3="-3.664474"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.180515"
                              y3="-2.270688"
                              z3="-2.339484"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.897606"
                              y3="-1.096011"
                              z3="-0.190982"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600462"
                              y3="-0.086049"
                              z3="0.451331"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.061864"
                              y3="-0.686682"
                              z3="1.250785"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.134845"
                              y3="-0.271593"
                              z3="-0.488448"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.717886"
                              y3="0.967811"
                              z3="0.739983"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.009245"
                              y3="1.284654"
                              z3="0.802358"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.405776"
                              y3="2.421994"
                              z3="0.778985"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.409819"
                              y3="3.230155"
                              z3="2.020745"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.452397"
                              y3="3.43587"
                              z3="2.309052"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.047845"
                              y3="2.63879"
                              z3="2.827907"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.127257"
                              y3="4.180056"
                              z3="1.912696"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.17219"
                              y3="2.868499"
                              z3="-0.309834"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.25594"
                              y3="2.206568"
                              z3="-1.575941"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.616837"
                              y3="3.782557"
                              z3="-0.241394"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.901863"
                              y3="1.772399"
                              z3="-2.224443"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.513911"
                              y3="2.062481"
                              z3="-2.163028"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.612633"
                              y3="1.457165"
                              z3="-3.413591"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.464559"
                              y3="1.003284"
                              z3="-4.063458"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.787994"
                              y3="1.162638"
                              z3="-3.470425"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.884729"
                              y3="1.934406"
                              z3="-1.777301"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.4062"
                              y3="2.440112"
                              z3="-1.656828"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.58939"
                              y3="1.361629"
                              z3="-3.893238"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.544246"
                              y3="0.54459"
                              z3="-5.051442"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.688643"
                              y3="0.833098"
                              z3="-3.991871"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4967,-.6927,1.8396;1.9466,-.5465,3.4529;.6687,-.5382,4.084;-.2596,-1.531,3.7423;.0781,-2.5474,2.7956;2.3357,-1.599,2.5902;1.3901,-2.6002,2.2561;2.6365,.2841,3.6221;.3865,.2761,4.7539;-1.2839,-1.4668,4.1172;-.6708,-3.2767,2.4813;3.3247,-1.5935,2.1294;1.6382,-3.3597,1.5117;-1.4098,-.0869,1.3374;-2.1475,-.4134,.3787;-1.6997,-1.0558,-.7013;-.3798,-1.3899,-1.0488;-2.3999,-1.2916,-1.3971;-.2185,-2.0677,-2.2615;1.0524,-2.3948,-2.7166;2.1792,-2.0353,-1.9734;2.0093,-1.3833,-.7599;.7346,-1.0466,-.2451;.8544,.4015,.0542;-1.0943,-2.3374,-2.8581;1.1642,-2.926,-3.6645;3.1805,-2.2707,-2.3395;2.8976,-1.096,-.191;-3.6005,-.086,.4513;-4.0619,-.6867,1.2508;-4.1348,-.2716,-.4884;-3.7179,.9678,.74;1.0092,1.2847,.8024;.4058,2.422,.779;.4098,3.2302,2.0207;1.4524,3.4359,2.3091;-.0478,2.6388,2.8279;-.1273,4.1801,1.9127;-.1722,2.8685,-.3098;-.2559,2.2066,-1.5759;-.6168,3.7826,-.2414;.9019,1.7724,-2.2244;-1.5139,2.0625,-2.163;-1.6126,1.4572,-3.4136;-.4646,1.0033,-4.0635;.788,1.1626,-3.4704;1.8847,1.9344,-1.7773;-2.4062,2.4401,-1.6568;-2.5894,1.3616,-3.8932;-.5442,.5446,-5.0514;1.6886,.8331,-3.9919;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.496391"
                              y3="-0.692882"
                              z3="1.839331"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.947701"
                              y3="-0.546626"
                              z3="3.451367"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.670302"
                              y3="-0.536972"
                              z3="4.08357"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.259044"
                              y3="-1.529432"
                              z3="3.743493"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.077244"
                              y3="-2.546569"
                              z3="2.797247"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.335272"
                              y3="-1.600004"
                              z3="2.589102"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.388684"
                              y3="-2.600772"
                              z3="2.256514"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.638316"
                              y3="0.283592"
                              z3="3.619376"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.389263"
                              y3="0.277997"
                              z3="4.753076"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.282862"
                              y3="-1.464286"
                              z3="4.119328"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.672469"
                              y3="-3.275577"
                              z3="2.48409"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.323899"
                              y3="-1.595549"
                              z3="2.127552"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.635506"
                              y3="-3.360945"
                              z3="1.512439"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.410122"
                              y3="-0.087433"
                              z3="1.337101"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.147747"
                              y3="-0.413899"
                              z3="0.378315"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.699725"
                              y3="-1.056157"
                              z3="-0.701756"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.379714"
                              y3="-1.389978"
                              z3="-1.049178"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.399749"
                              y3="-1.291897"
                              z3="-1.397699"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.21825"
                              y3="-2.067663"
                              z3="-2.261861"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.052782"
                              y3="-2.394572"
                              z3="-2.716885"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.179392"
                              y3="-2.035012"
                              z3="-1.973595"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.009359"
                              y3="-1.38321"
                              z3="-0.760091"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.734533"
                              y3="-1.046682"
                              z3="-0.245324"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.854373"
                              y3="0.401417"
                              z3="0.054236"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.093956"
                              y3="-2.33739"
                              z3="-2.85863"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.16468"
                              y3="-2.925754"
                              z3="-3.664843"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.180802"
                              y3="-2.270289"
                              z3="-2.339624"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.897586"
                              y3="-1.095811"
                              z3="-0.191072"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.60074"
                              y3="-0.086838"
                              z3="0.450801"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062114"
                              y3="-0.687643"
                              z3="1.250142"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.134998"
                              y3="-0.272369"
                              z3="-0.48905"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.718375"
                              y3="0.966968"
                              z3="0.739563"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.009112"
                              y3="1.284635"
                              z3="0.802735"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.405431"
                              y3="2.421872"
                              z3="0.779428"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.409147"
                              y3="3.229884"
                              z3="2.021287"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.451644"
                              y3="3.43564"
                              z3="2.309853"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.04866"
                              y3="2.638386"
                              z3="2.828271"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.127977"
                              y3="4.179757"
                              z3="1.913239"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.172469"
                              y3="2.868392"
                              z3="-0.309415"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.255936"
                              y3="2.206587"
                              z3="-1.575607"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.617292"
                              y3="3.782362"
                              z3="-0.240934"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.902021"
                              y3="1.772667"
                              z3="-2.224001"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.513804"
                              y3="2.062398"
                              z3="-2.162891"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.612264"
                              y3="1.457227"
                              z3="-3.413545"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.464034"
                              y3="1.003589"
                              z3="-4.063305"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.788412"
                              y3="1.163044"
                              z3="-3.470075"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.884801"
                              y3="1.934758"
                              z3="-1.7767"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.406219"
                              y3="2.439837"
                              z3="-1.65677"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.588939"
                              y3="1.361612"
                              z3="-3.893342"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.543516"
                              y3="0.545006"
                              z3="-5.051357"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.68918"
                              y3="0.833692"
                              z3="-3.991435"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4964,-.6929,1.8393;1.9477,-.5466,3.4514;.6703,-.537,4.0836;-.259,-1.5294,3.7435;.0772,-2.5466,2.7972;2.3353,-1.6,2.5891;1.3887,-2.6008,2.2565;2.6383,.2836,3.6194;.3893,.278,4.7531;-1.2829,-1.4643,4.1193;-.6725,-3.2756,2.4841;3.3239,-1.5955,2.1276;1.6355,-3.3609,1.5124;-1.4101,-.0874,1.3371;-2.1477,-.4139,.3783;-1.6997,-1.0562,-.7018;-.3797,-1.39,-1.0492;-2.3997,-1.2919,-1.3977;-.2182,-2.0677,-2.2619;1.0528,-2.3946,-2.7169;2.1794,-2.035,-1.9736;2.0094,-1.3832,-.7601;.7345,-1.0467,-.2453;.8544,.4014,.0542;-1.094,-2.3374,-2.8586;1.1647,-2.9258,-3.6648;3.1808,-2.2703,-2.3396;2.8976,-1.0958,-.1911;-3.6007,-.0868,.4508;-4.0621,-.6876,1.2501;-4.135,-.2724,-.489;-3.7184,.967,.7396;1.0091,1.2846,.8027;.4054,2.4219,.7794;.4091,3.2299,2.0213;1.4516,3.4356,2.3099;-.0487,2.6384,2.8283;-.128,4.1798,1.9132;-.1725,2.8684,-.3094;-.2559,2.2066,-1.5756;-.6173,3.7824,-.2409;.902,1.7727,-2.224;-1.5138,2.0624,-2.1629;-1.6123,1.4572,-3.4135;-.464,1.0036,-4.0633;.7884,1.163,-3.4701;1.8848,1.9348,-1.7767;-2.4062,2.4398,-1.6568;-2.5889,1.3616,-3.8933;-.5435,.545,-5.0514;1.6892,.8337,-3.9914;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.496172"
                              y3="-0.693053"
                              z3="1.83914"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.949062"
                              y3="-0.547156"
                              z3="3.449701"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.672237"
                              y3="-0.535752"
                              z3="4.083171"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.258413"
                              y3="-1.52752"
                              z3="3.744916"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.075952"
                              y3="-2.545583"
                              z3="2.798988"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.334724"
                              y3="-1.601549"
                              z3="2.587916"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.386722"
                              y3="-2.601551"
                              z3="2.256892"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.640675"
                              y3="0.282485"
                              z3="3.616433"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.392711"
                              y3="0.280023"
                              z3="4.752334"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.281745"
                              y3="-1.461174"
                              z3="4.121853"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.674825"
                              y3="-3.274026"
                              z3="2.487058"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.322927"
                              y3="-1.59848"
                              z3="2.125456"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.632001"
                              y3="-3.362519"
                              z3="1.51312"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.410419"
                              y3="-0.087975"
                              z3="1.336827"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.14787"
                              y3="-0.414467"
                              z3="0.377917"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.699591"
                              y3="-1.056498"
                              z3="-0.70218"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.379478"
                              y3="-1.390033"
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                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4959,-.6932,1.8389;1.9503,-.5476,3.4481;.6741,-.5346,4.0828;-.2578,-1.5258,3.7462;.0748,-2.5447,2.8006;2.3342,-1.6029,2.5868;1.3849,-2.6022,2.2572;2.6429,.2815,3.6136;.3959,.2819,4.7516;-1.2807,-1.4583,4.1242;-.677,-3.2726,2.4899;3.322,-1.6011,2.1234;1.6288,-3.3639,1.5137;-1.4107,-.0885,1.3366;-2.148,-.415,.3775;-1.6995,-1.0568,-.7026;-.3793,-1.3901,-1.0498;-2.3993,-1.2927,-1.3987;-.2174,-2.0675,-2.2626;1.0538,-2.3939,-2.7174;2.1802,-2.0341,-1.9738;2.0097,-1.3826,-.7602;.7347,-1.0466,-.2456;.8542,.4015,.0544;-1.0929,-2.3374,-2.8596;1.1661,-2.9249,-3.6655;3.1817,-2.269,-2.3397;2.8977,-1.0949,-.1911;-3.6012,-.0885,.4498;-4.0624,-.6896,1.249;-4.1352,-.2741,-.4902;-3.7193,.9652,.7387;1.0087,1.2847,.8034;.4045,2.4217,.7802;.4075,3.2294,2.0223;1.4498,3.4352,2.3114;-.0507,2.6376,2.8289;-.1298,4.1792,1.9142;-.1733,2.8682,-.3087;-.2561,2.2066,-1.5751;-.6185,3.782,-.2401;.9022,1.7733,-2.2232;-1.5138,2.0621,-2.1627;-1.6116,1.4572,-3.4136;-.463,1.0042,-4.0631;.7892,1.164,-3.4695;1.8848,1.9357,-1.7756;-2.4065,2.4391,-1.6568;-2.5881,1.3613,-3.8937;-.5421,.5458,-5.0513;1.6902,.8351,-3.9907;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.495798"
                              y3="-0.693324"
                              z3="1.838845"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.951862"
                              y3="-0.54851"
                              z3="3.446465"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.676187"
                              y3="-0.533473"
                              z3="4.082451"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.257202"
                              y3="-1.523687"
                              z3="3.747739"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.073156"
                              y3="-2.54357"
                              z3="2.802311"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.33355"
                              y3="-1.604905"
                              z3="2.58554"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.382572"
                              y3="-2.603199"
                              z3="2.257531"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.645599"
                              y3="0.279843"
                              z3="3.610734"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.399808"
                              y3="0.283881"
                              z3="4.751005"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.279549"
                              y3="-1.454832"
                              z3="4.126874"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.679863"
                              y3="-3.270715"
                              z3="2.49274"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.320894"
                              y3="-1.604713"
                              z3="2.121261"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.624652"
                              y3="-3.365696"
                              z3="1.514279"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.410926"
                              y3="-0.088941"
                              z3="1.336286"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148038"
                              y3="-0.415557"
                              z3="0.377159"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.699244"
                              y3="-1.057192"
                              z3="-0.702956"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.378916"
                              y3="-1.390105"
                              z3="-1.050037"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.398886"
                              y3="-1.293184"
                              z3="-1.399197"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.216695"
                              y3="-2.067343"
                              z3="-2.262858"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.054653"
                              y3="-2.393466"
                              z3="-2.717582"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.180824"
                              y3="-2.03349"
                              z3="-1.973854"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.010054"
                              y3="-1.382128"
                              z3="-0.76021"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.734903"
                              y3="-1.046468"
                              z3="-0.24569"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.854211"
                              y3="0.401653"
                              z3="0.054594"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.09207"
                              y3="-2.337376"
                              z3="-2.859977"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.167124"
                              y3="-2.924326"
                              z3="-3.665653"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.182481"
                              y3="-2.26808"
                              z3="-2.339647"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.897958"
                              y3="-1.09426"
                              z3="-0.190952"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.601256"
                              y3="-0.08942"
                              z3="0.449254"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062487"
                              y3="-0.690649"
                              z3="1.248358"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.135117"
                              y3="-0.275124"
                              z3="-0.490789"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.719643"
                              y3="0.964264"
                              z3="0.738159"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.008356"
                              y3="1.284724"
                              z3="0.803722"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.403934"
                              y3="2.421592"
                              z3="0.780522"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.406518"
                              y3="3.229179"
                              z3="2.022661"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.448734"
                              y3="3.435054"
                              z3="2.312142"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.051829"
                              y3="2.637298"
                              z3="2.829063"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.130737"
                              y3="4.178967"
                              z3="1.914523"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.173774"
                              y3="2.868108"
                              z3="-0.308416"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.256319"
                              y3="2.20669"
                              z3="-1.574872"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.619205"
                              y3="3.781774"
                              z3="-0.239811"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.902167"
                              y3="1.773736"
                              z3="-2.222964"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.513867"
                              y3="2.061929"
                              z3="-2.162704"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.611453"
                              y3="1.457146"
                              z3="-3.413612"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.462683"
                              y3="1.004456"
                              z3="-4.063077"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.789431"
                              y3="1.164486"
                              z3="-3.469299"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.884667"
                              y3="1.936288"
                              z3="-1.775216"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.406717"
                              y3="2.438629"
                              z3="-1.656799"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.587879"
                              y3="1.361089"
                              z3="-3.89383"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.541488"
                              y3="0.54617"
                              z3="-5.051322"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.690608"
                              y3="0.835884"
                              z3="-3.990423"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4958,-.6933,1.8388;1.9519,-.5485,3.4465;.6762,-.5335,4.0825;-.2572,-1.5237,3.7477;.0732,-2.5436,2.8023;2.3335,-1.6049,2.5855;1.3826,-2.6032,2.2575;2.6456,.2798,3.6107;.3998,.2839,4.751;-1.2795,-1.4548,4.1269;-.6799,-3.2707,2.4927;3.3209,-1.6047,2.1213;1.6247,-3.3657,1.5143;-1.4109,-.0889,1.3363;-2.148,-.4156,.3772;-1.6992,-1.0572,-.703;-.3789,-1.3901,-1.05;-2.3989,-1.2932,-1.3992;-.2167,-2.0673,-2.2629;1.0547,-2.3935,-2.7176;2.1808,-2.0335,-1.9739;2.0101,-1.3821,-.7602;.7349,-1.0465,-.2457;.8542,.4017,.0546;-1.0921,-2.3374,-2.86;1.1671,-2.9243,-3.6657;3.1825,-2.2681,-2.3396;2.898,-1.0943,-.191;-3.6013,-.0894,.4493;-4.0625,-.6906,1.2484;-4.1351,-.2751,-.4908;-3.7196,.9643,.7382;1.0084,1.2847,.8037;.4039,2.4216,.7805;.4065,3.2292,2.0227;1.4487,3.4351,2.3121;-.0518,2.6373,2.8291;-.1307,4.179,1.9145;-.1738,2.8681,-.3084;-.2563,2.2067,-1.5749;-.6192,3.7818,-.2398;.9022,1.7737,-2.223;-1.5139,2.0619,-2.1627;-1.6115,1.4571,-3.4136;-.4627,1.0045,-4.0631;.7894,1.1645,-3.4693;1.8847,1.9363,-1.7752;-2.4067,2.4386,-1.6568;-2.5879,1.3611,-3.8938;-.5415,.5462,-5.0513;1.6906,.8359,-3.9904;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.495476"
                              y3="-0.69343"
                              z3="1.838502"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.952515"
                              y3="-0.548303"
                              z3="3.445158"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.677229"
                              y3="-0.532516"
                              z3="4.081954"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.256672"
                              y3="-1.522635"
                              z3="3.748516"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.072756"
                              y3="-2.542948"
                              z3="2.803589"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.333316"
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                        <bond atomRefs2="a22 a23" order="S"/>
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                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
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                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
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                        <bond atomRefs2="a42 a46" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <atom elementType="H"
                              id="a51"
                              x3="1.690827"
                              y3="0.837702"
                              z3="-3.990628"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4959,-.6936,1.839;1.9552,-.5511,3.4438;.6806,-.5315,4.0822;-.2562,-1.5194,3.7508;.0694,-2.5415,2.8053;2.3321,-1.6097,2.5836;1.3774,-2.6055,2.2583;2.6517,.2754,3.6057;.408,.2875,4.7502;-1.2776,-1.4473,4.1321;-.6863,-3.2667,2.4977;3.3186,-1.6132,2.1176;1.6157,-3.3696,1.5155;-1.4108,-.0896,1.336;-2.1476,-.4164,.3767;-1.6983,-1.0578,-.7034;-.3777,-1.39,-1.0502;-2.3976,-1.294,-1.3998;-.2149,-2.0668,-2.2631;1.0568,-2.3923,-2.7176;2.1826,-2.032,-1.9736;2.0112,-1.381,-.7598;.7358,-1.046,-.2455;.8542,.4021,.0552;-1.09,-2.3371,-2.8606;1.1697,-2.9228,-3.6658;3.1844,-2.266,-2.3392;2.8989,-1.0927,-.1903;-3.601,-.0909,.4485;-4.0621,-.6924,1.2474;-4.1345,-.2768,-.4917;-3.7199,.9627,.7374;1.0075,1.2847,.8041;.4026,2.4213,.7808;.4043,3.2287,2.023;1.4464,3.4347,2.3132;-.0544,2.6366,2.8291;-.133,4.1784,1.9148;-.1751,2.8678,-.3082;-.2571,2.2067,-1.5749;-.6209,3.7813,-.2395;.9017,1.7746,-2.223;-1.5145,2.0616,-2.163;-1.6116,1.4571,-3.4141;-.4625,1.0052,-4.0635;.7894,1.1657,-3.4695;1.884,1.9375,-1.775;-2.4076,2.4377,-1.6571;-2.5879,1.3607,-3.8944;-.541,.5472,-5.0519;1.6908,.8377,-3.9906;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.494192"
                              y3="-0.692992"
                              z3="1.838032"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.953808"
                              y3="-0.548548"
                              z3="3.442295"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.679481"
                              y3="-0.531319"
                              z3="4.081033"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.25578"
                              y3="-1.520979"
                              z3="3.74986"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.071162"
                              y3="-2.541303"
                              z3="2.805596"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.332298"
                              y3="-1.606103"
                              z3="2.581779"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.379388"
                              y3="-2.603563"
                              z3="2.256908"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.648893"
                              y3="0.279146"
                              z3="3.604148"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.405637"
                              y3="0.2871"
                              z3="4.749333"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.277082"
                              y3="-1.450859"
                              z3="4.131556"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.683766"
                              y3="-3.267694"
                              z3="2.498893"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.318588"
                              y3="-1.607464"
                              z3="2.115293"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.618892"
                              y3="-3.367073"
                              z3="1.513866"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.412769"
                              y3="-0.090407"
                              z3="1.334891"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.149487"
                              y3="-0.417345"
                              z3="0.375603"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.700082"
                              y3="-1.058629"
                              z3="-0.704477"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.379482"
                              y3="-1.390727"
                              z3="-1.051211"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.399439"
                              y3="-1.295101"
                              z3="-1.400841"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.21658"
                              y3="-2.068206"
                              z3="-2.263807"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.05506"
                              y3="-2.393604"
                              z3="-2.718239"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.180833"
                              y3="-2.032609"
                              z3="-1.97444"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.009372"
                              y3="-1.381066"
                              z3="-0.760994"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.733927"
                              y3="-1.046132"
                              z3="-0.246704"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.853663"
                              y3="0.401588"
                              z3="0.054072"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.091676"
                              y3="-2.339016"
                              z3="-2.860984"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.16805"
                              y3="-2.924665"
                              z3="-3.666134"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.182729"
                              y3="-2.266522"
                              z3="-2.34001"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.897015"
                              y3="-1.092258"
                              z3="-0.191819"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.602905"
                              y3="-0.09205"
                              z3="0.447449"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.063861"
                              y3="-0.693379"
                              z3="1.246635"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.136556"
                              y3="-0.278257"
                              z3="-0.492608"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.72194"
                              y3="0.961626"
                              z3="0.736127"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.008587"
                              y3="1.285628"
                              z3="0.804832"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.404028"
                              y3="2.42243"
                              z3="0.782028"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.40637"
                              y3="3.229855"
                              z3="2.024287"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.448528"
                              y3="3.435629"
                              z3="2.314044"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.052212"
                              y3="2.637931"
                              z3="2.830525"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.130801"
                              y3="4.179692"
                              z3="1.916147"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.173624"
                              y3="2.868799"
                              z3="-0.306966"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.255592"
                              y3="2.207008"
                              z3="-1.573279"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.619299"
                              y3="3.782365"
                              z3="-0.238595"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.903245"
                              y3="1.774391"
                              z3="-2.220971"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.512932"
                              y3="2.061545"
                              z3="-2.161383"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.609935"
                              y3="1.45641"
                              z3="-3.412173"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.460813"
                              y3="1.00404"
                              z3="-4.061222"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.79108"
                              y3="1.164748"
                              z3="-3.467165"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.885552"
                              y3="1.937436"
                              z3="-1.772979"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.406069"
                              y3="2.43798"
                              z3="-1.65579"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.586188"
                              y3="1.359814"
                              z3="-3.892634"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.539167"
                              y3="0.545459"
                              z3="-5.049365"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.692516"
                              y3="0.836357"
                              z3="-3.98797"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4942,-.693,1.838;1.9538,-.5485,3.4423;.6795,-.5313,4.081;-.2558,-1.521,3.7499;.0712,-2.5413,2.8056;2.3323,-1.6061,2.5818;1.3794,-2.6036,2.2569;2.6489,.2791,3.6041;.4056,.2871,4.7493;-1.2771,-1.4509,4.1316;-.6838,-3.2677,2.4989;3.3186,-1.6075,2.1153;1.6189,-3.3671,1.5139;-1.4128,-.0904,1.3349;-2.1495,-.4173,.3756;-1.7001,-1.0586,-.7045;-.3795,-1.3907,-1.0512;-2.3994,-1.2951,-1.4008;-.2166,-2.0682,-2.2638;1.0551,-2.3936,-2.7182;2.1808,-2.0326,-1.9744;2.0094,-1.3811,-.761;.7339,-1.0461,-.2467;.8537,.4016,.0541;-1.0917,-2.339,-2.861;1.1681,-2.9247,-3.6661;3.1827,-2.2665,-2.34;2.897,-1.0923,-.1918;-3.6029,-.0921,.4474;-4.0639,-.6934,1.2466;-4.1366,-.2783,-.4926;-3.7219,.9616,.7361;1.0086,1.2856,.8048;.404,2.4224,.782;.4064,3.2299,2.0243;1.4485,3.4356,2.314;-.0522,2.6379,2.8305;-.1308,4.1797,1.9161;-.1736,2.8688,-.307;-.2556,2.207,-1.5733;-.6193,3.7824,-.2386;.9032,1.7744,-2.221;-1.5129,2.0615,-2.1614;-1.6099,1.4564,-3.4122;-.4608,1.004,-4.0612;.7911,1.1647,-3.4672;1.8856,1.9374,-1.773;-2.4061,2.438,-1.6558;-2.5862,1.3598,-3.8926;-.5392,.5455,-5.0494;1.6925,.8364,-3.988;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.496241"
                              y3="-0.693936"
                              z3="1.838245"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.956553"
                              y3="-0.551242"
                              z3="3.442012"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.682457"
                              y3="-0.529761"
                              z3="4.081517"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.255601"
                              y3="-1.516833"
                              z3="3.752156"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.068366"
                              y3="-2.540366"
                              z3="2.807304"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.331778"
                              y3="-1.611197"
                              z3="2.582789"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.375613"
                              y3="-2.606322"
                              z3="2.259288"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.65395"
                              y3="0.274741"
                              z3="3.602635"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.41112"
                              y3="0.290283"
                              z3="4.748864"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.276486"
                              y3="-1.443321"
                              z3="4.134313"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.688272"
                              y3="-3.265173"
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                        <atom elementType="H"
                              id="a12"
                              x3="3.317987"
                              y3="-1.616253"
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                        <atom elementType="H"
                              id="a13"
                              x3="1.612458"
                              y3="-3.371581"
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                              x3="-1.410458"
                              y3="-0.089436"
                              z3="1.33534"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.14721"
                              y3="-0.416489"
                              z3="0.37605"/>
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                              id="a16"
                              x3="-1.69782"
                              y3="-1.057997"
                              z3="-0.703882"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.377203"
                              y3="-1.390142"
                              z3="-1.050681"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.39714"
                              y3="-1.294306"
                              z3="-1.400338"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.214295"
                              y3="-2.066632"
                              z3="-2.263809"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.057341"
                              y3="-2.392015"
                              z3="-2.718299"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.183108"
                              y3="-2.031985"
                              z3="-1.974009"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.011678"
                              y3="-1.38136"
                              z3="-0.760042"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.736235"
                              y3="-1.046576"
                              z3="-0.245739"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.854626"
                              y3="0.402398"
                              z3="0.055391"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.089363"
                              y3="-2.336675"
                              z3="-2.861375"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.170329"
                              y3="-2.922314"
                              z3="-3.66662"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.184983"
                              y3="-2.265961"
                              z3="-2.339594"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.899268"
                              y3="-1.093378"
                              z3="-0.190379"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.600591"
                              y3="-0.090998"
                              z3="0.447695"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.06178"
                              y3="-0.692309"
                              z3="1.246762"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.134097"
                              y3="-0.277078"
                              z3="-0.49248"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.719538"
                              y3="0.962677"
                              z3="0.736404"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.007422"
                              y3="1.284382"
                              z3="0.804587"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.401746"
                              y3="2.420646"
                              z3="0.781401"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.402846"
                              y3="3.22766"
                              z3="2.023895"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.444683"
                              y3="3.434043"
                              z3="2.314362"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.055848"
                              y3="2.635099"
                              z3="2.829606"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.134929"
                              y3="4.177154"
                              z3="1.915748"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.175911"
                              y3="2.867153"
                              z3="-0.307561"/>
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                              id="a40"
                              x3="-0.257555"
                              y3="2.206528"
                              z3="-1.574478"/>
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                              id="a41"
                              x3="-0.622232"
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                              id="a42"
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                              y3="1.77476"
                              z3="-2.222476"/>
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                              id="a43"
                              x3="-1.514819"
                              y3="2.061348"
                              z3="-2.162814"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.611618"
                              y3="1.457288"
                              z3="-3.414124"/>
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                              id="a45"
                              x3="-0.462343"
                              y3="1.005739"
                              z3="-4.063502"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.78948"
                              y3="1.166224"
                              z3="-3.469232"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.883686"
                              y3="1.937706"
                              z3="-1.774346"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.408079"
                              y3="2.437151"
                              z3="-1.656964"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.587838"
                              y3="1.360885"
                              z3="-3.89469"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.540538"
                              y3="0.548001"
                              z3="-5.052049"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.691039"
                              y3="0.838524"
                              z3="-3.990264"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4962,-.6939,1.8382;1.9566,-.5512,3.442;.6825,-.5298,4.0815;-.2556,-1.5168,3.7522;.0684,-2.5404,2.8073;2.3318,-1.6112,2.5828;1.3756,-2.6063,2.2593;2.654,.2747,3.6026;.4111,.2903,4.7489;-1.2765,-1.4433,4.1343;-.6883,-3.2652,2.5011;3.318,-1.6163,2.1162;1.6125,-3.3716,1.5172;-1.4105,-.0894,1.3353;-2.1472,-.4165,.376;-1.6978,-1.058,-.7039;-.3772,-1.3901,-1.0507;-2.3971,-1.2943,-1.4003;-.2143,-2.0666,-2.2638;1.0573,-2.392,-2.7183;2.1831,-2.032,-1.974;2.0117,-1.3814,-.76;.7362,-1.0466,-.2457;.8546,.4024,.0554;-1.0894,-2.3367,-2.8614;1.1703,-2.9223,-3.6666;3.185,-2.266,-2.3396;2.8993,-1.0934,-.1904;-3.6006,-.091,.4477;-4.0618,-.6923,1.2468;-4.1341,-.2771,-.4925;-3.7195,.9627,.7364;1.0074,1.2844,.8046;.4017,2.4206,.7814;.4028,3.2277,2.0239;1.4447,3.434,2.3144;-.0558,2.6351,2.8296;-.1349,4.1772,1.9157;-.1759,2.8672,-.3076;-.2576,2.2065,-1.5745;-.6222,3.7804,-.2386;.9014,1.7748,-2.2225;-1.5148,2.0613,-2.1628;-1.6116,1.4573,-3.4141;-.4623,1.0057,-4.0635;.7895,1.1662,-3.4692;1.8837,1.9377,-1.7743;-2.4081,2.4372,-1.657;-2.5878,1.3609,-3.8947;-.5405,.548,-5.052;1.691,.8385,-3.9903;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.495279"
                              y3="-0.693681"
                              z3="1.838268"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.957605"
                              y3="-0.551776"
                              z3="3.440163"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.684207"
                              y3="-0.529297"
                              z3="4.081024"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.254868"
                              y3="-1.516063"
                              z3="3.753083"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.067221"
                              y3="-2.539346"
                              z3="2.808547"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.331118"
                              y3="-1.612023"
                              z3="2.580763"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.373986"
                              y3="-2.606564"
                              z3="2.258496"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.655774"
                              y3="0.273746"
                              z3="3.599788"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.414271"
                              y3="0.291098"
                              z3="4.748508"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.275232"
                              y3="-1.441986"
                              z3="4.136517"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.690469"
                              y3="-3.263553"
                              z3="2.503475"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.316751"
                              y3="-1.617737"
                              z3="2.112942"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.609545"
                              y3="-3.371981"
                              z3="1.516151"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.41171"
                              y3="-0.090587"
                              z3="1.335129"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148203"
                              y3="-0.417648"
                              z3="0.375683"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.69844"
                              y3="-1.05868"
                              z3="-0.704384"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.377676"
                              y3="-1.390281"
                              z3="-1.051059"/>
                        <atom elementType="H"
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                              x3="-2.397608"
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                        <bond atomRefs2="a20 a26" order="S"/>
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                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4952,-.6937,1.8381;1.9585,-.5522,3.4391;.6855,-.5284,4.0808;-.2546,-1.5146,3.754;.0661,-2.5385,2.8098;2.3306,-1.6132,2.5801;1.3725,-2.6071,2.2589;2.6574,.2728,3.5979;.4166,.2926,4.748;-1.2746,-1.4395,4.1382;-.6923,-3.2623,2.5055;3.316,-1.62,2.1117;1.6069,-3.3731,1.5168;-1.4117,-.0908,1.3347;-2.1481,-.418,.3752;-1.6982,-1.059,-.7047;-.3773,-1.3904,-1.0513;-2.3972,-1.2956,-1.4014;-.2138,-2.0671,-2.2642;1.0581,-2.3918,-2.7184;2.1835,-2.0309,-1.9741;2.0115,-1.3801,-.7603;.7358,-1.0459,-.2462;.8541,.4022,.055;-1.0887,-2.3378,-2.8618;1.1715,-2.9223,-3.6666;3.1856,-2.2643,-2.3395;2.8988,-1.0913,-.1907;-3.6017,-.0933,.4467;-4.0627,-.695,1.2456;-4.135,-.2794,-.4936;-3.7213,.9603,.7357;1.0072,1.2851,.8051;.4016,2.4214,.7822;.4025,3.2283,2.0247;1.4442,3.4344,2.3156;-.0567,2.6358,2.8302;-.135,4.1779,1.9164;-.176,2.8678,-.3069;-.2572,2.2069,-1.5737;-.6224,3.781,-.2381;.9021,1.7755,-2.2214;-1.5143,2.0611,-2.1622;-1.6106,1.4568,-3.4135;-.4611,1.0056,-4.0626;.7906,1.1667,-3.4681;1.8842,1.9389,-1.7731;-2.4078,2.4366,-1.6566;-2.5867,1.3599,-3.8942;-.5389,.5477,-5.0511;1.6924,.8393,-3.989;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.49502"
                              y3="-0.693833"
                              z3="1.838068"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.959411"
                              y3="-0.552722"
                              z3="3.43804"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.686783"
                              y3="-0.527753"
                              z3="4.080522"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.254127"
                              y3="-1.513428"
                              z3="3.754929"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.065279"
                              y3="-2.537955"
                              z3="2.810754"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.330245"
                              y3="-1.614301"
                              z3="2.579237"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.371116"
                              y3="-2.607653"
                              z3="2.258964"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.659013"
                              y3="0.271896"
                              z3="3.596035"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.418966"
                              y3="0.2937"
                              z3="4.747566"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.273822"
                              y3="-1.437641"
                              z3="4.139792"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.693911"
                              y3="-3.261255"
                              z3="2.507243"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.315293"
                              y3="-1.621971"
                              z3="2.110228"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.604522"
                              y3="-3.374091"
                              z3="1.516994"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.411984"
                              y3="-0.091113"
                              z3="1.334632"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148253"
                              y3="-0.418335"
                              z3="0.375068"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.698136"
                              y3="-1.059193"
                              z3="-0.704951"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.377213"
                              y3="-1.390357"
                              z3="-1.051434"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.397121"
                              y3="-1.29588"
                              z3="-1.401615"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.213564"
                              y3="-2.066954"
                              z3="-2.264401"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.058397"
                              y3="-2.391505"
                              z3="-2.718581"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.183743"
                              y3="-2.030457"
                              z3="-1.974173"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.011575"
                              y3="-1.379731"
                              z3="-0.760368"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.735802"
                              y3="-1.045801"
                              z3="-0.246303"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.853929"
                              y3="0.402335"
                              z3="0.055165"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.088317"
                              y3="-2.337771"
                              z3="-2.862076"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.171957"
                              y3="-2.921917"
                              z3="-3.666772"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.18587"
                              y3="-2.263681"
                              z3="-2.339547"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.898866"
                              y3="-1.090776"
                              z3="-0.190746"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.601873"
                              y3="-0.093857"
                              z3="0.446472"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062779"
                              y3="-0.695593"
                              z3="1.245381"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.135089"
                              y3="-0.280176"
                              z3="-0.493815"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.721594"
                              y3="0.959698"
                              z3="0.735306"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.006955"
                              y3="1.285187"
                              z3="0.805369"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.40121"
                              y3="2.421386"
                              z3="0.782371"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.401875"
                              y3="3.228286"
                              z3="2.024959"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.44361"
                              y3="3.434406"
                              z3="2.315966"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.057353"
                              y3="2.635771"
                              z3="2.830402"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.13564"
                              y3="4.177909"
                              z3="1.916646"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.176247"
                              y3="2.86781"
                              z3="-0.306725"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.257225"
                              y3="2.206933"
                              z3="-1.573567"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.622764"
                              y3="3.780934"
                              z3="-0.237952"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.90218"
                              y3="1.775743"
                              z3="-2.221187"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.514245"
                              y3="2.060923"
                              z3="-2.162218"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.610341"
                              y3="1.456634"
                              z3="-3.41348"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.46063"
                              y3="1.005666"
                              z3="-4.062476"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.790935"
                              y3="1.166958"
                              z3="-3.467882"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.884209"
                              y3="1.93929"
                              z3="-1.772768"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.407858"
                              y3="2.436277"
                              z3="-1.656661"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.58636"
                              y3="1.359604"
                              z3="-3.894327"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.538283"
                              y3="0.547748"
                              z3="-5.050982"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.692823"
                              y3="0.839717"
                              z3="-3.988631"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.495,-.6938,1.8381;1.9594,-.5527,3.438;.6868,-.5278,4.0805;-.2541,-1.5134,3.7549;.0653,-2.538,2.8108;2.3302,-1.6143,2.5792;1.3711,-2.6077,2.259;2.659,.2719,3.596;.419,.2937,4.7476;-1.2738,-1.4376,4.1398;-.6939,-3.2613,2.5072;3.3153,-1.622,2.1102;1.6045,-3.3741,1.517;-1.412,-.0911,1.3346;-2.1483,-.4183,.3751;-1.6981,-1.0592,-.705;-.3772,-1.3904,-1.0514;-2.3971,-1.2959,-1.4016;-.2136,-2.067,-2.2644;1.0584,-2.3915,-2.7186;2.1837,-2.0305,-1.9742;2.0116,-1.3797,-.7604;.7358,-1.0458,-.2463;.8539,.4023,.0552;-1.0883,-2.3378,-2.8621;1.172,-2.9219,-3.6668;3.1859,-2.2637,-2.3395;2.8989,-1.0908,-.1907;-3.6019,-.0939,.4465;-4.0628,-.6956,1.2454;-4.1351,-.2802,-.4938;-3.7216,.9597,.7353;1.007,1.2852,.8054;.4012,2.4214,.7824;.4019,3.2283,2.025;1.4436,3.4344,2.316;-.0574,2.6358,2.8304;-.1356,4.1779,1.9166;-.1762,2.8678,-.3067;-.2572,2.2069,-1.5736;-.6228,3.7809,-.238;.9022,1.7757,-2.2212;-1.5142,2.0609,-2.1622;-1.6103,1.4566,-3.4135;-.4606,1.0057,-4.0625;.7909,1.167,-3.4679;1.8842,1.9393,-1.7728;-2.4079,2.4363,-1.6567;-2.5864,1.3596,-3.8943;-.5383,.5477,-5.051;1.6928,.8397,-3.9886;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.494952"
                              y3="-0.693898"
                              z3="1.838005"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.960247"
                              y3="-0.553205"
                              z3="3.437144"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.687954"
                              y3="-0.527104"
                              z3="4.080325"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.253798"
                              y3="-1.512258"
                              z3="3.755742"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.064388"
                              y3="-2.537321"
                              z3="2.811717"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.329868"
                              y3="-1.615373"
                              z3="2.578596"/>
                        <atom elementType="C"
                              id="a7"
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                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
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                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
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                        <bond atomRefs2="a45 a46" order="S"/>
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                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              z3="-3.988305"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4949,-.694,1.8379;1.961,-.5537,3.4363;.6891,-.5266,4.0801;-.2535,-1.5112,3.7565;.0636,-2.5368,2.8126;2.3295,-1.6163,2.5779;1.3687,-2.6086,2.2593;2.6619,.2701,3.593;.4231,.2958,4.7468;-1.2726,-1.434,4.1425;-.6969,-3.2592,2.5103;3.3141,-1.6257,2.1079;1.6002,-3.3759,1.5176;-1.4122,-.0916,1.3343;-2.1483,-.4189,.3747;-1.6979,-1.0596,-.7054;-.3768,-1.3904,-1.0517;-2.3967,-1.2964,-1.4021;-.2129,-2.0668,-2.2647;1.0592,-2.3911,-2.7188;2.1844,-2.0298,-1.9742;2.0119,-1.3792,-.7604;.736,-1.0457,-.2464;.8539,.4025,.0553;-1.0875,-2.3378,-2.8625;1.173,-2.9214,-3.667;3.1866,-2.2628,-2.3395;2.8991,-1.0901,-.1907;-3.602,-.0948,.4459;-4.0628,-.6967,1.2447;-4.135,-.2812,-.4944;-3.722,.9587,.7348;1.0066,1.2853,.8057;.4006,2.4213,.7827;.4008,3.2281,2.0254;1.4425,3.4342,2.3168;-.0586,2.6354,2.8307;-.1367,4.1777,1.9171;-.1768,2.8677,-.3064;-.2574,2.207,-1.5733;-.6235,3.7807,-.2376;.9022,1.7762,-2.2208;-1.5143,2.0607,-2.1622;-1.6101,1.4566,-3.4135;-.4602,1.006,-4.0624;.7912,1.1675,-3.4676;1.8841,1.9399,-1.7723;-2.4081,2.4358,-1.6567;-2.5861,1.3593,-3.8945;-.5376,.5481,-5.051;1.6933,.8406,-3.9883;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.494849"
                              y3="-0.69399"
                              z3="1.837878"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.961776"
                              y3="-0.554147"
                              z3="3.435527"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.690089"
                              y3="-0.526032"
                              z3="4.079964"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.253187"
                              y3="-1.510218"
                              z3="3.757144"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.062789"
                              y3="-2.536197"
                              z3="2.81334"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.3292"
                              y3="-1.617328"
                              z3="2.577381"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.36751"
                              y3="-2.609072"
                              z3="2.259462"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.663235"
                              y3="0.269251"
                              z3="3.591619"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.424957"
                              y3="0.296685"
                              z3="4.746533"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.272056"
                              y3="-1.432219"
                              z3="4.143734"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.698328"
                              y3="-3.258238"
                              z3="2.511651"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.313536"
                              y3="-1.627491"
                              z3="2.106943"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.598204"
                              y3="-3.37672"
                              z3="1.517896"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.412241"
                              y3="-0.091763"
                              z3="1.33416"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.14825"
                              y3="-0.419169"
                              z3="0.374462"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.69773"
                              y3="-1.059789"
                              z3="-0.705528"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.376624"
                              y3="-1.390418"
                              z3="-1.051826"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.396511"
                              y3="-1.296681"
                              z3="-1.402326"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.212533"
                              y3="-2.066795"
                              z3="-2.26485"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.059619"
                              y3="-2.39086"
                              z3="-2.718861"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.184709"
                              y3="-2.029501"
                              z3="-1.974232"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.01211"
                              y3="-1.37899"
                              z3="-0.760368"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.736143"
                              y3="-1.045595"
                              z3="-0.246445"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.853851"
                              y3="0.402541"
                              z3="0.055348"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.087091"
                              y3="-2.337837"
                              z3="-2.862708"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.173515"
                              y3="-2.921117"
                              z3="-3.667098"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.186981"
                              y3="-2.262305"
                              z3="-2.339476"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.899208"
                              y3="-1.089712"
                              z3="-0.190624"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.601994"
                              y3="-0.095203"
                              z3="0.445654"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062809"
                              y3="-0.697127"
                              z3="1.244472"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.135003"
                              y3="-0.28167"
                              z3="-0.494721"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.722127"
                              y3="0.9583"
                              z3="0.734509"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.006478"
                              y3="1.28531"
                              z3="0.805836"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.400326"
                              y3="2.421299"
                              z3="0.78289"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.400391"
                              y3="3.22799"
                              z3="2.025613"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.441975"
                              y3="3.434183"
                              z3="2.317098"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.059115"
                              y3="2.63528"
                              z3="2.830757"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.137201"
                              y3="4.177562"
                              z3="1.917241"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.177052"
                              y3="2.867701"
                              z3="-0.306257"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.257559"
                              y3="2.207005"
                              z3="-1.573224"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.623899"
                              y3="3.78066"
                              z3="-0.237425"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.902123"
                              y3="1.776374"
                              z3="-2.220717"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.514422"
                              y3="2.060614"
                              z3="-2.162117"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.610069"
                              y3="1.456503"
                              z3="-3.413499"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.460073"
                              y3="1.006084"
                              z3="-4.06237"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.791328"
                              y3="1.167757"
                              z3="-3.467535"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.884011"
                              y3="1.940225"
                              z3="-1.7721"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.408266"
                              y3="2.435542"
                              z3="-1.65665"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.585968"
                              y3="1.359179"
                              z3="-3.894532"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.537379"
                              y3="0.548302"
                              z3="-5.050967"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.693432"
                              y3="0.840951"
                              z3="-3.988184"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4948,-.694,1.8379;1.9618,-.5541,3.4355;.6901,-.526,4.08;-.2532,-1.5102,3.7571;.0628,-2.5362,2.8133;2.3292,-1.6173,2.5774;1.3675,-2.6091,2.2595;2.6632,.2693,3.5916;.425,.2967,4.7465;-1.2721,-1.4322,4.1437;-.6983,-3.2582,2.5117;3.3135,-1.6275,2.1069;1.5982,-3.3767,1.5179;-1.4122,-.0918,1.3342;-2.1482,-.4192,.3745;-1.6977,-1.0598,-.7055;-.3766,-1.3904,-1.0518;-2.3965,-1.2967,-1.4023;-.2125,-2.0668,-2.2649;1.0596,-2.3909,-2.7189;2.1847,-2.0295,-1.9742;2.0121,-1.379,-.7604;.7361,-1.0456,-.2464;.8539,.4025,.0553;-1.0871,-2.3378,-2.8627;1.1735,-2.9211,-3.6671;3.187,-2.2623,-2.3395;2.8992,-1.0897,-.1906;-3.602,-.0952,.4457;-4.0628,-.6971,1.2445;-4.135,-.2817,-.4947;-3.7221,.9583,.7345;1.0065,1.2853,.8058;.4003,2.4213,.7829;.4004,3.228,2.0256;1.442,3.4342,2.3171;-.0591,2.6353,2.8308;-.1372,4.1776,1.9172;-.1771,2.8677,-.3063;-.2576,2.207,-1.5732;-.6239,3.7807,-.2374;.9021,1.7764,-2.2207;-1.5144,2.0606,-2.1621;-1.6101,1.4565,-3.4135;-.4601,1.0061,-4.0624;.7913,1.1678,-3.4675;1.884,1.9402,-1.7721;-2.4083,2.4355,-1.6566;-2.586,1.3592,-3.8945;-.5374,.5483,-5.051;1.6934,.841,-3.9882;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.494774"
                              y3="-0.694044"
                              z3="1.837805"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.962425"
                              y3="-0.554483"
                              z3="3.434779"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.691014"
                              y3="-0.525544"
                              z3="4.079784"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.252883"
                              y3="-1.509361"
                              z3="3.757766"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.062159"
                              y3="-2.535718"
                              z3="2.814088"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.328932"
                              y3="-1.618095"
                              z3="2.576821"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.366568"
                              y3="-2.609436"
                              z3="2.259583"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.664364"
                              y3="0.268608"
                              z3="3.590323"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.426603"
                              y3="0.297515"
                              z3="4.746218"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.271517"
                              y3="-1.430791"
                              z3="4.144859"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.699478"
                              y3="-3.257442"
                              z3="2.512939"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.313061"
                              y3="-1.628908"
                              z3="2.105969"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.596525"
                              y3="-3.377416"
                              z3="1.518134"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.41235"
                              y3="-0.091978"
                              z3="1.334038"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.14829"
                              y3="-0.419415"
                              z3="0.374298"/>
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                              id="a16"
                              x3="-1.697663"
                              y3="-1.059953"
                              z3="-0.705696"/>
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                              id="a17"
                              x3="-0.376511"
                              y3="-1.390442"
                              z3="-1.05195"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.396392"
                              y3="-1.29689"
                              z3="-1.402531"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.21231"
                              y3="-2.06676"
                              z3="-2.264989"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.059888"
                              y3="-2.390698"
                              z3="-2.718964"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.184914"
                              y3="-2.029256"
                              z3="-1.974282"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.012207"
                              y3="-1.378802"
                              z3="-0.760401"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.736193"
                              y3="-1.04555"
                              z3="-0.246507"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.853806"
                              y3="0.402594"
                              z3="0.05539"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.086821"
                              y3="-2.337861"
                              z3="-2.86289"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.173868"
                              y3="-2.920914"
                              z3="-3.667214"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.187223"
                              y3="-2.261948"
                              z3="-2.339498"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.899259"
                              y3="-1.089438"
                              z3="-0.190632"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.602065"
                              y3="-0.095578"
                              z3="0.445436"/>
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                              id="a30"
                              x3="-4.062855"
                              y3="-0.697543"
                              z3="1.244238"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.135024"
                              y3="-0.28209"
                              z3="-0.494958"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.722302"
                              y3="0.957914"
                              z3="0.734288"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.006331"
                              y3="1.285351"
                              z3="0.805988"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.400071"
                              y3="2.421285"
                              z3="0.783058"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.399956"
                              y3="3.227913"
                              z3="2.025822"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.441495"
                              y3="3.434121"
                              z3="2.317454"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.05964"
                              y3="2.635147"
                              z3="2.830874"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.137653"
                              y3="4.177473"
                              z3="1.91743"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.177266"
                              y3="2.867682"
                              z3="-0.306111"/>
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                              id="a40"
                              x3="-0.257616"
                              y3="2.207027"
                              z3="-1.57311"/>
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                              id="a41"
                              x3="-0.624205"
                              y3="3.780596"
                              z3="-0.237275"/>
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                              x3="0.902158"
                              y3="1.77655"
                              z3="-2.22054"/>
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                              x3="-1.514423"
                              y3="2.060522"
                              z3="-2.162094"/>
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                              id="a44"
                              x3="-1.609917"
                              y3="1.456449"
                              z3="-3.413506"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.459828"
                              y3="1.006181"
                              z3="-4.062316"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.791515"
                              y3="1.167968"
                              z3="-3.467389"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.883997"
                              y3="1.940491"
                              z3="-1.771848"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.408342"
                              y3="2.435331"
                              z3="-1.656674"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.585772"
                              y3="1.359036"
                              z3="-3.89461"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.537016"
                              y3="0.548428"
                              z3="-5.050934"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.69369"
                              y3="0.84128"
                              z3="-3.987989"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4948,-.694,1.8378;1.9624,-.5545,3.4348;.691,-.5255,4.0798;-.2529,-1.5094,3.7578;.0622,-2.5357,2.8141;2.3289,-1.6181,2.5768;1.3666,-2.6094,2.2596;2.6644,.2686,3.5903;.4266,.2975,4.7462;-1.2715,-1.4308,4.1449;-.6995,-3.2574,2.5129;3.3131,-1.6289,2.106;1.5965,-3.3774,1.5181;-1.4123,-.092,1.334;-2.1483,-.4194,.3743;-1.6977,-1.06,-.7057;-.3765,-1.3904,-1.0519;-2.3964,-1.2969,-1.4025;-.2123,-2.0668,-2.265;1.0599,-2.3907,-2.719;2.1849,-2.0293,-1.9743;2.0122,-1.3788,-.7604;.7362,-1.0455,-.2465;.8538,.4026,.0554;-1.0868,-2.3379,-2.8629;1.1739,-2.9209,-3.6672;3.1872,-2.2619,-2.3395;2.8993,-1.0894,-.1906;-3.6021,-.0956,.4454;-4.0629,-.6975,1.2442;-4.135,-.2821,-.495;-3.7223,.9579,.7343;1.0063,1.2854,.806;.4001,2.4213,.7831;.4,3.2279,2.0258;1.4415,3.4341,2.3175;-.0596,2.6351,2.8309;-.1377,4.1775,1.9174;-.1773,2.8677,-.3061;-.2576,2.207,-1.5731;-.6242,3.7806,-.2373;.9022,1.7766,-2.2205;-1.5144,2.0605,-2.1621;-1.6099,1.4564,-3.4135;-.4598,1.0062,-4.0623;.7915,1.168,-3.4674;1.884,1.9405,-1.7718;-2.4083,2.4353,-1.6567;-2.5858,1.359,-3.8946;-.537,.5484,-5.0509;1.6937,.8413,-3.988;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.49479"
                              y3="-0.694053"
                              z3="1.837817"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.963192"
                              y3="-0.555153"
                              z3="3.434133"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.692049"
                              y3="-0.525127"
                              z3="4.079694"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.252686"
                              y3="-1.508341"
                              z3="3.758424"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.061218"
                              y3="-2.535156"
                              z3="2.814744"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.328542"
                              y3="-1.619256"
                              z3="2.576323"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.365278"
                              y3="-2.609957"
                              z3="2.259703"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.665805"
                              y3="0.267457"
                              z3="3.589172"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.428547"
                              y3="0.29831"
                              z3="4.746025"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.271068"
                              y3="-1.42898"
                              z3="4.146011"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.701075"
                              y3="-3.256374"
                              z3="2.514042"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.312464"
                              y3="-1.630942"
                              z3="2.105065"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.594333"
                              y3="-3.378283"
                              z3="1.518331"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.412335"
                              y3="-0.092079"
                              z3="1.33389"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148191"
                              y3="-0.419639"
                              z3="0.374128"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.697428"
                              y3="-1.06016"
                              z3="-0.705819"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.376208"
                              y3="-1.390446"
                              z3="-1.052003"/>
                        <atom elementType="H"
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                              x3="-2.396087"
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                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
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                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
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                              y3="-0.694099"
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                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4946,-.6941,1.8376;1.9633,-.5548,3.4337;.6922,-.5248,4.0795;-.2525,-1.5082,3.7586;.0613,-2.535,2.8151;2.3286,-1.619,2.576;1.3653,-2.6099,2.2597;2.6658,.2679,3.5885;.4287,.2987,4.7457;-1.2708,-1.4289,4.1463;-.701,-3.2564,2.5147;3.3124,-1.6307,2.1046;1.5943,-3.3783,1.5185;-1.4125,-.0923,1.3338;-2.1484,-.4198,.374;-1.6976,-1.0602,-.706;-.3764,-1.3905,-1.0522;-2.3963,-1.2972,-1.4029;-.212,-2.0668,-2.2652;1.0602,-2.3905,-2.7191;2.1852,-2.029,-1.9744;2.0123,-1.3786,-.7605;.7362,-1.0455,-.2466;.8538,.4027,.0554;-1.0865,-2.338,-2.8632;1.1743,-2.9207,-3.6674;3.1875,-2.2615,-2.3396;2.8993,-1.0891,-.1907;-3.6022,-.0961,.4451;-4.0629,-.6981,1.2439;-4.1351,-.2827,-.4953;-3.7226,.9574,.7339;1.0062,1.2854,.8062;.3998,2.4213,.7833;.3995,3.2278,2.0262;1.4409,3.4341,2.318;-.0602,2.635,2.8311;-.1382,4.1774,1.9178;-.1775,2.8677,-.3058;-.2577,2.2071,-1.5729;-.6246,3.7805,-.237;.9022,1.7768,-2.2202;-1.5144,2.0604,-2.162;-1.6097,1.4564,-3.4134;-.4595,1.0063,-4.0621;.7918,1.1682,-3.4671;1.884,1.9408,-1.7715;-2.4084,2.435,-1.6566;-2.5855,1.3588,-3.8946;-.5366,.5486,-5.0508;1.694,.8417,-3.9877;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.495026"
                              y3="-0.694094"
                              z3="1.83802"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.964351"
                              y3="-0.556427"
                              z3="3.433566"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.693519"
                              y3="-0.524807"
                              z3="4.079786"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.252466"
                              y3="-1.507022"
                              z3="3.759329"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.059855"
                              y3="-2.534497"
                              z3="2.815399"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.328039"
                              y3="-1.621189"
                              z3="2.575892"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.363436"
                              y3="-2.610843"
                              z3="2.259901"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.667994"
                              y3="0.265402"
                              z3="3.588064"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.431319"
                              y3="0.299113"
                              z3="4.746039"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-1.27053"
                              y3="-1.426455"
                              z3="4.147495"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-0.703363"
                              y3="-3.254891"
                              z3="2.515063"/>
                        <atom elementType="H"
                              id="a12"
                              x3="3.311721"
                              y3="-1.634192"
                              z3="2.104172"/>
                        <atom elementType="H"
                              id="a13"
                              x3="1.591224"
                              y3="-3.379582"
                              z3="1.518567"/>
                        <atom elementType="O"
                              id="a14"
                              x3="-1.412102"
                              y3="-0.092115"
                              z3="1.333933"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.147853"
                              y3="-0.419799"
                              z3="0.374129"/>
                        <atom elementType="N"
                              id="a16"
                              x3="-1.69693"
                              y3="-1.060285"
                              z3="-0.705768"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.375628"
                              y3="-1.390338"
                              z3="-1.051883"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.395502"
                              y3="-1.297426"
                              z3="-1.402689"/>
                        <atom elementType="C"
                              id="a19"
                              x3="-0.211064"
                              y3="-2.066502"
                              z3="-2.264952"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.061298"
                              y3="-2.390015"
                              z3="-2.718788"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.186117"
                              y3="-2.028259"
                              z3="-1.973952"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.013061"
                              y3="-1.37794"
                              z3="-0.76004"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.736878"
                              y3="-1.045167"
                              z3="-0.246272"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.853808"
                              y3="0.402911"
                              z3="0.055697"/>
                        <atom elementType="H"
                              id="a25"
                              x3="-1.085413"
                              y3="-2.33782"
                              z3="-2.862992"/>
                        <atom elementType="H"
                              id="a26"
                              x3="1.175561"
                              y3="-2.920126"
                              z3="-3.667061"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.188544"
                              y3="-2.260594"
                              z3="-2.339069"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.899945"
                              y3="-1.088278"
                              z3="-0.190167"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.60172"
                              y3="-0.096333"
                              z3="0.445062"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-4.062456"
                              y3="-0.698349"
                              z3="1.243857"/>
                        <atom elementType="H"
                              id="a31"
                              x3="-4.134512"
                              y3="-0.283055"
                              z3="-0.495386"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-3.722261"
                              y3="0.957152"
                              z3="0.733813"/>
                        <atom elementType="O"
                              id="a33"
                              x3="1.005791"
                              y3="1.285463"
                              z3="0.806073"/>
                        <atom elementType="C"
                              id="a34"
                              x3="0.399242"
                              y3="2.421236"
                              z3="0.783044"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.398708"
                              y3="3.227794"
                              z3="2.025852"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.440141"
                              y3="3.434061"
                              z3="2.317811"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.061086"
                              y3="2.634936"
                              z3="2.830726"/>
                        <atom elementType="H"
                              id="a38"
                              x3="-0.138952"
                              y3="4.177314"
                              z3="1.917359"/>
                        <atom elementType="N"
                              id="a39"
                              x3="-0.178073"
                              y3="2.867597"
                              z3="-0.306162"/>
                        <atom elementType="C"
                              id="a40"
                              x3="-0.258204"
                              y3="2.207108"
                              z3="-1.573258"/>
                        <atom elementType="H"
                              id="a41"
                              x3="-0.625223"
                              y3="3.780401"
                              z3="-0.237259"/>
                        <atom elementType="C"
                              id="a42"
                              x3="0.901702"
                              y3="1.777036"
                              z3="-2.220718"/>
                        <atom elementType="C"
                              id="a43"
                              x3="-1.514954"
                              y3="2.060351"
                              z3="-2.162298"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.610256"
                              y3="1.456426"
                              z3="-3.413794"/>
                        <atom elementType="C"
                              id="a45"
                              x3="-0.460027"
                              y3="1.00656"
                              z3="-4.062639"/>
                        <atom elementType="C"
                              id="a46"
                              x3="0.791258"
                              y3="1.168608"
                              z3="-3.46766"/>
                        <atom elementType="H"
                              id="a47"
                              x3="1.883485"
                              y3="1.941189"
                              z3="-1.77198"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.408986"
                              y3="2.434854"
                              z3="-1.656851"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.586075"
                              y3="1.358818"
                              z3="-3.894931"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.537067"
                              y3="0.548926"
                              z3="-5.051325"/>
                        <atom elementType="H"
                              id="a51"
                              x3="1.693538"
                              y3="0.842251"
                              z3="-3.988287"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.495,-.6941,1.838;1.9644,-.5564,3.4336;.6935,-.5248,4.0798;-.2525,-1.507,3.7593;.0599,-2.5345,2.8154;2.328,-1.6212,2.5759;1.3634,-2.6108,2.2599;2.668,.2654,3.5881;.4313,.2991,4.746;-1.2705,-1.4265,4.1475;-.7034,-3.2549,2.5151;3.3117,-1.6342,2.1042;1.5912,-3.3796,1.5186;-1.4121,-.0921,1.3339;-2.1479,-.4198,.3741;-1.6969,-1.0603,-.7058;-.3756,-1.3903,-1.0519;-2.3955,-1.2974,-1.4027;-.2111,-2.0665,-2.265;1.0613,-2.39,-2.7188;2.1861,-2.0283,-1.974;2.0131,-1.3779,-.76;.7369,-1.0452,-.2463;.8538,.4029,.0557;-1.0854,-2.3378,-2.863;1.1756,-2.9201,-3.6671;3.1885,-2.2606,-2.3391;2.8999,-1.0883,-.1902;-3.6017,-.0963,.4451;-4.0625,-.6983,1.2439;-4.1345,-.2831,-.4954;-3.7223,.9572,.7338;1.0058,1.2855,.8061;.3992,2.4212,.783;.3987,3.2278,2.0259;1.4401,3.4341,2.3178;-.0611,2.6349,2.8307;-.139,4.1773,1.9174;-.1781,2.8676,-.3062;-.2582,2.2071,-1.5733;-.6252,3.7804,-.2373;.9017,1.777,-2.2207;-1.515,2.0604,-2.1623;-1.6103,1.4564,-3.4138;-.46,1.0066,-4.0626;.7913,1.1686,-3.4677;1.8835,1.9412,-1.772;-2.409,2.4349,-1.6569;-2.5861,1.3588,-3.8949;-.5371,.5489,-5.0513;1.6935,.8423,-3.9883;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="Ru"
                              id="a1"
                              x3="0.494724"
                              y3="-0.69414"
                              z3="1.837685"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.964439"
                              y3="-0.555824"
                              z3="3.432791"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.693796"
                              y3="-0.524298"
                              z3="4.079368"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-0.252084"
                              y3="-1.506807"
                              z3="3.759514"/>
                        <atom elementType="C"
                              id="a5"
                              x3="0.060095"
                              y3="-2.534279"
                              z3="2.816055"/>
                        <atom elementType="C"
                              id="a6"
                              x3="2.328105"
                              y3="-1.620689"
                              z3="2.575292"/>
                        <atom elementType="C"
                              id="a7"
                              x3="1.3636"
                              y3="-2.610629"
                              z3="2.259883"/>
                        <atom elementType="H"
                              id="a8"
                              x3="2.667938"
                              y3="0.266207"
                              z3="3.586869"/>
                        <atom elementType="H"
                              id="a9"
                              x3="0.431614"
                              y3="0.299745"
                              z3="4.745474"/>
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                              id="a10"
                              x3="-1.270038"
                              y3="-1.426392"
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                              id="a11"
                              x3="-0.703155"
                              y3="-3.254889"
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                              id="a12"
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                              id="a13"
                              x3="1.591313"
                              y3="-3.379542"
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                        <atom elementType="O"
                              id="a14"
                              x3="-1.41248"
                              y3="-0.092434"
                              z3="1.333719"/>
                        <atom elementType="C"
                              id="a15"
                              x3="-2.148238"
                              y3="-0.420033"
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                        <atom elementType="N"
                              id="a16"
                              x3="-1.697319"
                              y3="-1.060404"
                              z3="-0.706073"/>
                        <atom elementType="C"
                              id="a17"
                              x3="-0.376028"
                              y3="-1.390461"
                              z3="-1.052211"/>
                        <atom elementType="H"
                              id="a18"
                              x3="-2.395904"
                              y3="-1.297514"
                              z3="-1.402993"/>
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                              id="a19"
                              x3="-0.211496"
                              y3="-2.066627"
                              z3="-2.265285"/>
                        <atom elementType="C"
                              id="a20"
                              x3="1.060848"
                              y3="-2.390167"
                              z3="-2.71915"/>
                        <atom elementType="C"
                              id="a21"
                              x3="2.185684"
                              y3="-2.028437"
                              z3="-1.974333"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.012654"
                              y3="-1.378129"
                              z3="-0.760415"/>
                        <atom elementType="C"
                              id="a23"
                              x3="0.736493"
                              y3="-1.045324"
                              z3="-0.246605"/>
                        <atom elementType="H"
                              id="a24"
                              x3="0.853678"
                              y3="0.402825"
                              z3="0.055529"/>
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                              id="a25"
                              x3="-1.085864"
                              y3="-2.337932"
                              z3="-2.863304"/>
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                              id="a26"
                              x3="1.175081"
                              y3="-2.920279"
                              z3="-3.667427"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.188102"
                              y3="-2.260782"
                              z3="-2.339467"/>
                        <atom elementType="H"
                              id="a28"
                              x3="2.899561"
                              y3="-1.088475"
                              z3="-0.190577"/>
                        <atom elementType="C"
                              id="a29"
                              x3="-3.602106"
                              y3="-0.096583"
                              z3="0.444891"/>
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                              id="a30"
                              x3="-4.0628"
                              y3="-0.69861"
                              z3="1.243701"/>
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                              id="a31"
                              x3="-4.134939"
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                        <atom elementType="H"
                              id="a32"
                              x3="-3.722647"
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                        <atom elementType="O"
                              id="a33"
                              x3="1.005818"
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                        <atom elementType="C"
                              id="a34"
                              x3="0.399225"
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                              z3="0.783439"/>
                        <atom elementType="C"
                              id="a35"
                              x3="0.398574"
                              y3="3.227736"
                              z3="2.026314"/>
                        <atom elementType="H"
                              id="a36"
                              x3="1.439978"
                              y3="3.434012"
                              z3="2.318371"/>
                        <atom elementType="H"
                              id="a37"
                              x3="-0.061271"
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                        <atom elementType="H"
                              id="a38"
                              x3="-0.139101"
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                        <atom elementType="N"
                              id="a39"
                              x3="-0.178008"
                              y3="2.867647"
                              z3="-0.305796"/>
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                              id="a40"
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                              z3="-1.572885"/>
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                              id="a41"
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                              id="a42"
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                              z3="-2.22015"/>
                        <atom elementType="C"
                              id="a43"
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                              z3="-2.162108"/>
                        <atom elementType="C"
                              id="a44"
                              x3="-1.609628"
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                        <atom elementType="C"
                              id="a45"
                              x3="-0.45927"
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                        <atom elementType="C"
                              id="a46"
                              x3="0.791911"
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                        <atom elementType="H"
                              id="a47"
                              x3="1.883825"
                              y3="1.941321"
                              z3="-1.771263"/>
                        <atom elementType="H"
                              id="a48"
                              x3="-2.4087"
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                              z3="-1.656812"/>
                        <atom elementType="H"
                              id="a49"
                              x3="-2.585363"
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                              z3="-3.894885"/>
                        <atom elementType="H"
                              id="a50"
                              x3="-0.536126"
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                              z3="-5.050916"/>
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                              id="a51"
                              x3="1.69429"
                              y3="0.842258"
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                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a7" order="S"/>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a23" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a14" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a8" order="S"/>
                        <bond atomRefs2="a2 a6" order="S"/>
                        <bond atomRefs2="a3 a9" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a10" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a11" order="S"/>
                        <bond atomRefs2="a6 a12" order="S"/>
                        <bond atomRefs2="a6 a7" order="S"/>
                        <bond atomRefs2="a7 a13" order="S"/>
                        <bond atomRefs2="a14 a15" order="S"/>
                        <bond atomRefs2="a15 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a16 a18" order="S"/>
                        <bond atomRefs2="a16 a17" order="S"/>
                        <bond atomRefs2="a17 a19" order="S"/>
                        <bond atomRefs2="a17 a23" order="S"/>
                        <bond atomRefs2="a19 a25" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a20 a26" order="S"/>
                        <bond atomRefs2="a20 a21" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a27" order="S"/>
                        <bond atomRefs2="a22 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a24 a33" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a29 a31" order="S"/>
                        <bond atomRefs2="a29 a32" order="S"/>
                        <bond atomRefs2="a33 a34" order="S"/>
                        <bond atomRefs2="a34 a35" order="S"/>
                        <bond atomRefs2="a34 a39" order="S"/>
                        <bond atomRefs2="a35 a36" order="S"/>
                        <bond atomRefs2="a35 a38" order="S"/>
                        <bond atomRefs2="a35 a37" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a40 a43" order="S"/>
                        <bond atomRefs2="a40 a42" order="S"/>
                        <bond atomRefs2="a42 a47" order="S"/>
                        <bond atomRefs2="a42 a46" order="S"/>
                        <bond atomRefs2="a43 a44" order="S"/>
                        <bond atomRefs2="a43 a48" order="S"/>
                        <bond atomRefs2="a44 a49" order="S"/>
                        <bond atomRefs2="a44 a45" order="S"/>
                        <bond atomRefs2="a45 a50" order="S"/>
                        <bond atomRefs2="a45 a46" order="S"/>
                        <bond atomRefs2="a46 a51" order="S"/>
                     </bondArray>
                     <formula concise="C22H24N2O2Ru">
                        <atomArray count="22 24 2 2 1" elementType="C H N O Ru"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">425.3175999999998</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4947,-.6941,1.8377;1.9644,-.5558,3.4328;.6938,-.5243,4.0794;-.2521,-1.5068,3.7595;.0601,-2.5343,2.8161;2.3281,-1.6207,2.5753;1.3636,-2.6106,2.2599;2.6679,.2662,3.5869;.4316,.2997,4.7455;-1.27,-1.4264,4.148;-.7032,-3.2549,2.5163;3.3117,-1.6336,2.1033;1.5913,-3.3795,1.5187;-1.4125,-.0924,1.3337;-2.1482,-.42,.3739;-1.6973,-1.0604,-.7061;-.376,-1.3905,-1.0522;-2.3959,-1.2975,-1.403;-.2115,-2.0666,-2.2653;1.0608,-2.3902,-2.7191;2.1857,-2.0284,-1.9743;2.0127,-1.3781,-.7604;.7365,-1.0453,-.2466;.8537,.4028,.0555;-1.0859,-2.3379,-2.8633;1.1751,-2.9203,-3.6674;3.1881,-2.2608,-2.3395;2.8996,-1.0885,-.1906;-3.6021,-.0966,.4449;-4.0628,-.6986,1.2437;-4.1349,-.2833,-.4955;-3.7226,.9569,.7337;1.0058,1.2855,.8063;.3992,2.4213,.7834;.3986,3.2277,2.0263;1.44,3.434,2.3184;-.0613,2.6348,2.8311;-.1391,4.1773,1.9179;-.178,2.8676,-.3058;-.2579,2.2071,-1.5729;-.6252,3.7804,-.2369;.9021,1.7771,-2.2201;-1.5146,2.0602,-2.1621;-1.6096,1.4563,-3.4136;-.4593,1.0064,-4.0622;.7919,1.1686,-3.4671;1.8838,1.9413,-1.7713;-2.4087,2.4347,-1.6568;-2.5854,1.3586,-3.8949;-.5361,.5487,-5.0509;1.6943,.8423,-3.9875;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150639773683</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150722651339</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150793644941</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150843381881</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150882275474</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150914908469</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150943579157</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150969501310</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.150993478226</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151015948993</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151037304159</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151057838660</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151077471661</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151096359622</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151114759816</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151132593986</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151149889618</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151166814158</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151183204623</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151199255819</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151214809982</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151230137270</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151244996565</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151259403328</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151273422336</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151286976684</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151300102135</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151312710674</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151324859554</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151336435914</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151347408768</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151358048982</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151367738988</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151376722677</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151384910988</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151392194927</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151398611485</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151404015241</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151408540853</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151412334691</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151415683633</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151418700740</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151421433170</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151423864116</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151426000115</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151427931509</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151429601397</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151431193926</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151431340573</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151432059151</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151433064730</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151435421633</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151436299845</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151437182887</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151437888692</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151438497847</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151438994659</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151439526162</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151439898805</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151440225810</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151439957281</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151440723279</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="51">-0.588542 0.108674 0.058009 0.120736 0.084654 0.070214 0.121172 0.079716 0.078885 0.082479 0.082656 0.079689 0.081013 -0.068577 0.143058 0.081215 0.044836 0.115721 -0.026511 0.033976 -0.010882 0.015873 -0.102513 0.136432 0.049612 0.062411 0.059028 0.051943 -0.060312 0.082201 0.055128 0.071087 0.014357 0.179103 -0.050388 0.088660 0.080719 0.065132 0.110422 -0.024526 0.129581 -0.021460 -0.034610 -0.008335 0.009197 0.004885 0.049112 0.044495 0.056196 0.057994 0.056386</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="51">16.2292 5.9347 5.9449 5.9176 5.9548 5.9652 5.9254 0.8919 0.8925 0.8884 0.8837 0.8903 0.8841 8.3437 5.8363 7.0909 5.8605 0.8270 6.0122 5.9950 5.9786 6.0473 6.2820 0.6521 0.9587 0.9191 0.9282 0.9482 6.0260 0.8727 0.9159 0.8949 8.3076 5.8318 6.0271 0.8605 0.8756 0.9018 7.0876 5.9914 0.7955 5.9865 6.0093 6.0443 5.9768 6.0172 0.9481 0.9629 0.9284 0.9255 0.9303</array>
                     <array dataType="xsd:double" dictRef="o:za" size="51">16.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 8.0000 6.0000 7.0000 6.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 8.0000 6.0000 6.0000 1.0000 1.0000 1.0000 7.0000 6.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="51">-0.2292 0.0653 0.0551 0.0824 0.0452 0.0348 0.0746 0.1081 0.1075 0.1116 0.1163 0.1097 0.1159 -0.3437 0.1637 -0.0909 0.1395 0.1730 -0.0122 0.0050 0.0214 -0.0473 -0.2820 0.3479 0.0413 0.0809 0.0718 0.0518 -0.0260 0.1273 0.0841 0.1051 -0.3076 0.1682 -0.0271 0.1395 0.1244 0.0982 -0.0876 0.0086 0.2045 0.0135 -0.0093 -0.0443 0.0232 -0.0172 0.0519 0.0371 0.0716 0.0745 0.0697</array>
                     <array dataType="xsd:double" dictRef="o:va" size="51">5.0638 3.7943 3.7863 3.7821 3.7951 3.8101 3.7787 0.9787 0.9820 0.9792 0.9811 0.9804 0.9822 2.2153 4.1059 3.3208 3.9722 0.9872 3.8336 3.8666 3.8206 3.9491 3.6415 0.9305 0.9945 0.9805 0.9816 0.9826 3.8930 0.9864 0.9947 0.9942 2.2098 4.1226 3.8829 0.9833 0.9930 0.9955 3.3750 3.8187 0.9654 3.8799 3.8662 3.8870 3.8319 3.8915 0.9931 0.9942 0.9811 0.9814 0.9840</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="51">5.0638 3.7943 3.7863 3.7821 3.7951 3.8101 3.7787 0.9787 0.9820 0.9792 0.9811 0.9804 0.9822 2.2153 4.1059 3.3208 3.9722 0.9872 3.8336 3.8666 3.8206 3.9491 3.6415 0.9305 0.9945 0.9805 0.9816 0.9826 3.8930 0.9864 0.9947 0.9942 2.2098 4.1226 3.8829 0.9833 0.9930 0.9955 3.3750 3.8187 0.9654 3.8799 3.8662 3.8870 3.8319 3.8915 0.9931 0.9942 0.9811 0.9814 0.9840</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="51">-0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="60">0.5550 0.4137 0.5485 0.6363 0.5380 0.5272 0.5244 0.6480 0.2995 1.1404 1.0947 0.9837 1.1597 0.9854 1.0649 0.9819 1.0857 0.9803 1.1461 0.9831 0.9785 1.5077 1.3004 1.0765 1.0342 0.8953 1.3757 1.2948 1.3992 0.9791 1.3425 0.9761 1.4209 0.9862 1.2999 0.9752 0.2492 0.4995 0.9313 0.9550 0.9358 1.3068 1.0742 1.4940 0.9252 0.9257 0.9483 0.8945 0.8955 1.3622 1.3775 1.3976 0.9883 1.3866 0.9932 1.3871 0.9805 1.3840 0.9873 0.9775</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="60">0 1 0 2 0 3 0 4 0 5 0 6 0 13 0 22 0 32 1 2 1 5 1 7 2 3 2 8 3 4 3 9 4 6 4 10 5 6 5 11 6 12 13 14 14 15 14 28 15 16 15 17 16 18 16 22 18 19 18 24 19 20 19 25 20 21 20 26 21 22 21 27 22 23 23 32 28 29 28 30 28 31 32 33 33 34 33 38 34 35 34 36 34 37 38 39 38 40 39 41 39 42 41 45 41 46 42 43 42 47 43 44 43 48 44 45 44 49 45 50</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">2.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="51">-0.229159 0.065326 0.055079 0.082403 0.045232 0.034775 0.074644 0.108100 0.107464 0.111621 0.116342 0.109665 0.115853 -0.343711 0.163733 -0.090884 0.139461 0.172988 -0.012247 0.004969 0.021380 -0.047278 -0.281954 0.347856 0.041306 0.080868 0.071806 0.051832 -0.025964 0.127343 0.084053 0.105093 -0.307571 0.168191 -0.027090 0.139506 0.124447 0.098183 -0.087581 0.008614 0.204519 0.013541 -0.009263 -0.044285 0.023158 -0.017186 0.051934 0.037144 0.071563 0.074475 0.069707</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="146">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 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152</array>
                  <array dataType="xsd:double" dictRef="cc:frequency" size="146">9.09 21.10 45.94 52.59 61.06 70.16 78.68 83.09 84.63 94.00 114.97 133.27 138.94 174.84 193.09 202.93 214.28 226.45 240.78 262.75 302.64 306.09 354.24 364.19 377.29 380.61 401.25 408.26 418.61 426.16 437.10 442.36 493.00 502.99 533.56 566.47 598.44 618.96 620.60 624.47 632.82 639.68 646.54 657.04 678.53 700.60 708.76 715.76 730.06 762.14 780.36 800.22 856.97 858.41 873.01 873.45 903.87 921.38 935.72 952.83 983.79 998.47 1002.45 1003.12 1003.83 1007.56 1011.21 1017.25 1019.88 1029.13 1032.60 1036.07 1038.28 1041.85 1042.97 1043.70 1045.30 1045.89 1047.83 1057.53 1080.15 1111.78 1139.64 1160.42 1164.12 1166.21 1167.69 1181.78 1186.30 1189.56 1257.40 1259.85 1279.28 1299.24 1328.62 1341.11 1341.32 1381.78 1382.50 1407.84 1412.43 1427.53 1429.98 1435.30 1449.40 1463.07 1468.81 1472.30 1480.48 1486.98 1499.77 1524.46 1533.90 1571.87 1582.38 1589.02 1603.53 1653.84 1668.72 1673.94 1679.72 1692.27 1730.53 3076.01 3079.20 3171.16 3173.40 3201.22 3204.38 3204.82 3206.96 3208.19 3222.63 3226.84 3227.02 3228.61 3232.11 3235.11 3238.84 3239.61 3243.51 3245.63 3248.98 3252.29 3585.64 3627.42</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="146">0.000472 0.001254 0.001016 0.000752 0.000451 0.000987 0.004669 0.002593 0.000783 0.001646 0.000107 0.000041 0.000576 0.002230 0.002621 0.002676 0.006345 0.000335 0.004362 0.001629 0.001635 0.000390 0.000694 0.002239 0.002229 0.000515 0.000462 0.001475 0.000068 0.001163 0.000054 0.000184 0.000784 0.001427 0.002947 0.004853 0.001542 0.000329 0.000188 0.000459 0.000688 0.000094 0.000971 0.001403 0.000031 0.002325 0.001904 0.002037 0.003555 0.002640 0.006931 0.006940 0.000162 0.003638 0.000108 0.000839 0.000091 0.000159 0.000019 0.000449 0.000068 0.000027 0.000072 0.000307 0.000571 0.000194 0.000165 0.000009 0.000144 0.003162 0.000444 0.000619 0.001598 0.000676 0.000017 0.000672 0.000162 0.000175 0.001527 0.000060 0.000434 0.000442 0.001446 0.002217 0.000164 0.000211 0.000095 0.000011 0.000174 0.000025 0.000954 0.000295 0.000476 0.001391 0.000253 0.000170 0.000008 0.000753 0.002157 0.000250 0.000878 0.000628 0.000633 0.001564 0.002704 0.003943 0.001238 0.000181 0.000693 0.000073 0.000879 0.008428 0.001455 0.000036 0.004275 0.003015 0.006572 0.003097 0.003183 0.000198 0.000067 0.002869 0.022291 0.000205 0.000156 0.000132 0.000066 0.000022 0.000005 0.000029 0.000032 0.000007 0.000005 0.000015 0.000002 0.000016 0.000023 0.000034 0.000016 0.000072 0.000059 0.000241 0.000284 0.000090 0.002551 0.001298</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="146">0.015094 0.015610 0.000341 0.035168 0.003827 -0.001605 -0.028785 -0.000041 -0.013698 -0.020031 -0.015093 0.011076 -0.017857 -0.010162 0.005386 -0.009240 0.028302 0.010023 0.025375 0.062765 -0.009233 -0.035255 -0.031471 0.018953 -0.002796 -0.027232 0.005785 -0.020580 -0.033521 0.009914 0.002175 0.002147 -0.009862 0.005234 0.003624 0.000688 -0.005688 0.002009 0.023220 0.009370 -0.046226 -0.002270 0.020386 0.046317 -0.007785 0.003141 0.051513 -0.003540 0.003458 0.062692 -0.049019 0.003516 0.016056 0.008042 -0.030442 -0.054828 0.020721 0.019535 -0.034232 -0.008693 0.003789 0.037444 -0.014774 0.000597 0.017871 0.008385 0.002773 0.000712 0.026187 0.014805 0.037195 -0.025222 0.040837 -0.012346 0.020221 -0.016002 0.014942 -0.005937 -0.020245 -0.007191 -0.000547 -0.007942 -0.034629 0.014593 0.004573 -0.005598 0.004025 0.010376 -0.014551 -0.029050 0.001922 -0.006700 0.002379 0.012071 0.005054 0.003611 0.003181 -0.023433 0.014997 0.007796 0.031413 -0.019476 -0.007437 -0.053326 0.006942 0.005383 0.069344 -0.003976 -0.027417 0.028115 0.000296 0.004179 -0.017185 0.003997 -0.006582 -0.010658 0.005617 0.000681 0.014859 0.015431 -0.004458 0.023839 -0.010007 -0.005486 0.007374 -0.003084 0.010762 -0.012657 0.026368 0.011767 -0.035504 0.001957 0.001914 -0.005195 0.000379 0.027156 0.036820 -0.015219 0.011608 0.037227 -0.019592 -0.009971 0.034399 -0.027465 0.046502 0.032977 -0.017464 0.005891 0.043319 -0.027001 0.020246 0.066509 -0.045804 -0.004857 -0.078369 0.027837 -0.011320 0.004029 0.004216 0.021124 -0.042688 0.037006 -0.006555 -0.000598 0.008054 0.002854 -0.020751 -0.020007 -0.006747 0.003766 -0.005630 -0.009127 0.006268 -0.006011 0.002871 -0.002248 -0.002295 0.005796 0.017079 -0.011142 -0.001356 0.003785 -0.007196 0.003532 -0.002040 -0.003215 0.003880 -0.000031 0.007513 0.008457 -0.010384 0.011279 -0.005223 -0.015672 0.017269 -0.006436 0.011669 0.004020 0.001589 -0.007810 0.010052 -0.001946 -0.000947 -0.002192 -0.004794 -0.002918 -0.010592 0.014607 -0.054104 0.004653 -0.004992 -0.011798 -0.016722 -0.010153 0.005060 0.022151 0.021171 0.025004 -0.022904 -0.003379 -0.013203 -0.022150 0.000068 0.002571 0.003268 -0.007639 0.010056 0.022640 0.005618 0.000955 -0.011375 -0.002514 0.012381 0.003979 -0.020143 -0.028273 -0.017940 0.002291 0.006290 0.003897 -0.011335 0.017468 -0.000468 -0.019797 0.006219 0.003446 -0.026500 0.027064 -0.003430 -0.005444 0.042453 0.019629 -0.002647 0.012061 0.003389 -0.000148 0.012936 0.006613 0.001622 0.009492 -0.001562 0.001729 0.002716 -0.000699 0.011408 0.004290 0.005011 -0.003032 0.003520 -0.001966 0.011601 -0.009856 -0.026869 -0.007526 0.015276 -0.002127 0.015851 -0.007481 0.012973 -0.007705 0.027763 -0.023685 -0.014622 -0.006231 0.000931 -0.001339 0.001489 -0.012866 0.000753 -0.000934 0.002487 -0.018950 0.008124 -0.018111 0.029843 -0.008658 -0.034514 -0.008570 -0.013273 0.000853 -0.005666 -0.026120 -0.012786 -0.018676 -0.015999 0.004774 0.015129 0.018064 -0.008848 -0.006914 -0.035782 -0.015347 -0.020506 0.045994 -0.012969 -0.004460 -0.042370 -0.046125 -0.022339 -0.025457 -0.009535 -0.008224 0.009803 0.004100 0.013959 0.018780 0.012047 0.003015 -0.001343 -0.007865 0.029306 0.001399 0.004303 -0.028120 0.076773 0.041746 -0.001111 0.020313 0.032262 -0.001588 0.003212 0.004855 -0.014811 0.063323 0.006779 0.009918 -0.052809 -0.011318 0.057720 -0.037748 -0.042610 -0.053890 0.011843 -0.007226 -0.020361 0.010029 0.051650 0.006302 0.010406 0.007055 -0.005111 0.002006 0.006111 0.024756 0.031157 0.035856 0.050143 0.002623 0.140607 -0.005046 -0.008772 -0.010146 -0.011167 0.000979 0.005541 0.009923 0.005494 0.001830 -0.004441 -0.005775 0.003632 0.004701 -0.000029 -0.000618 -0.000189 -0.002093 -0.000452 -0.004748 0.001964 0.001687 0.004077 -0.000457 0.003946 -0.000424 -0.000058 -0.002598 -0.002019 -0.000123 0.000781 0.001286 0.003112 0.001916 0.000436 0.001175 -0.000644 -0.001610 -0.001636 -0.003223 0.004776 0.000518 0.000054 0.005361 0.000742 0.002117 -0.002469 -0.001373 -0.002847 0.004551 -0.004227 -0.005758 0.002254 -0.000792 -0.007291 0.014281 0.006093 0.000374 0.004490 -0.010570 -0.012336 -0.000282 -0.004299 0.008463 0.018624 -0.045804 0.010291 0.023881 0.009467 0.025266</matrix>
               </module>
               <module cmlx:templateRef="irspectrum">
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               <formula convention="iupac:inchi"
                        inline="InChI=1/C8H10NO.C8H8NO.C6H6.Ru/c2*1-7(10)9-8-5-3-2-4-6-8;1-2-4-6-5-3-1;/h2-6,9-10H,1H3;2-5,9H,1H3;1-6H;/q;-1;;+1/rC14H14NORu.C8H10NO/c1-6-15-7-4-2-3-5-8(7)17(16-6)9-10(17)12(17)14(17)13(17)11(9)17;1-7(10)9-8-5-3-2-4-6-8/h2-5,9-15H,1H3;2-6,9-10H,1H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:35,45,44,46,43,42,34,40,39,33;29,21,20,22,19,23,15,17,16,14;2,3,6,4,7,5;1/E:(3,4)(5,6);;(1,2,3,4,5,6);/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3;2.3,3.3,4.3,5.3,6.2,7.3,8.3,10-1;1.3,2.3,3.3,4.3,5.3,6.3;/rA:51nRuCCCCCCHHHHHHOC3NC3HC3C3C3C3C3HHHHHCHHHOC3CHHHNC3HC3C3C3C3C3HHHHH/rB:s1;s1s2;s1s3;s1s4;s1s2;s1s5s6;s2;s3;s4;s5;s6;s7;s1;s14;s15;s16;s16;s17;s19;s20;s21;s1s17s22;;s19;s20;s21;s22;s15;s29;s29;s29;s24;s33;s34;s35;s35;s35;s34;s39;s39;s40;s40;s43;s44;s42s45;s42;s43;s44;s45;s46;/rC:.4947,-.6941,1.8376;1.9646,-.556,3.4325;.6941,-.5241,4.0793;-.2521,-1.5064,3.7597;.0597,-2.534,2.8163;2.3279,-1.6211,2.5751;1.3631,-2.6108,2.26;2.6684,.2659,3.5864;.4322,.3001,4.7453;-1.27,-1.4257,4.1484;-.7038,-3.2545,2.5168;3.3114,-1.6343,2.103;1.5905,-3.3799,1.5189;-1.4125,-.0925,1.3336;-2.1482,-.4202,.3737;-1.6972,-1.0605,-.7062;-.3759,-1.3905,-1.0523;-2.3958,-1.2977,-1.4031;-.2113,-2.0667,-2.2653;1.0611,-2.3901,-2.7192;2.1859,-2.0283,-1.9743;2.0128,-1.378,-.7604;.7366,-1.0453,-.2466;.8537,.4028,.0556;-1.0856,-2.338,-2.8634;1.1754,-2.9202,-3.6674;3.1884,-2.2606,-2.3394;2.8997,-1.0883,-.1905;-3.6021,-.0968,.4447;-4.0628,-.6988,1.2435;-4.1349,-.2836,-.4958;-3.7227,.9567,.7334;1.0059,1.2855,.8064;.3992,2.4213,.7835;.3986,3.2277,2.0264;1.44,3.434,2.3184;-.0612,2.6348,2.8312;-.1391,4.1772,1.9179;-.178,2.8676,-.3057;-.258,2.2071,-1.5728;-.6253,3.7804,-.2368;.902,1.7771,-2.2201;-1.5147,2.0602,-2.162;-1.6098,1.4563,-3.4135;-.4594,1.0065,-4.0622;.7918,1.1687,-3.4671;1.8838,1.9414,-1.7713;-2.4088,2.4346,-1.6566;-2.5855,1.3586,-3.8947;-.5363,.5489,-5.0509;1.6941,.8424,-3.9876;/R:/0/N:29,20,21,19,22,15,17,23,2,3,6,4,7,5,16,14,1;35,45,44,46,43,42,34,40,39,33/E:(9,10,11,12,13,14);(3,4)(5,6)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,17.8;2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="totalenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:totalener" units="nonsi:hartree">-1205.07639321</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">2888.61206349</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-4093.68845670</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-7369.68058578</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">3275.99212908</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-2338.14158532</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">1133.06519210</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.06355433</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">100.000008945887</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">100.000008945887</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">200.000017891774</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-120.417512146421</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-6.905994437892</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-127.323506584314</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074246560</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074232249</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074220848</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074209359</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074199481</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074191257</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074184366</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074178675</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074173971</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074170174</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074167137</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">449.52</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1204.70967934</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70873513</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03973312</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01666492</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02099990</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07739793</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70873513</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.07739793</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-1204.78613307</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.36490424</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074163954</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074162916</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074162508</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074162256</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074162557</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074163260</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074164175</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074165456</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074166964</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074168622</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">449.52</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1204.70986592</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70892171</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03940653</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01666478</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02099990</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07707121</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074168299</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074170892</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074173679</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074176613</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074179629</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074182604</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074185555</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074188433</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074191238</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074193937</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">449.52</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1204.70999837</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70905416</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03928380</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01666390</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02099990</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07694760</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074194632</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074197302</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074199809</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074202199</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074204560</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074206871</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074209183</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074211487</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074213752</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074215895</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">449.52</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1204.71006014</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70911593</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03922562</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01666312</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02099990</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07688864</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074216721</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074217510</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074217803</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074217923</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074218261</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074218277</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074219697</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074216495</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074222223</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074224443</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">449.52</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1204.71007157</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70912736</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03922829</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01666292</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02099990</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07689111</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074219882</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074220440</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074220783</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074220656</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074220932</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074221048</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074221248</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074221053</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074222140</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074219170</scalar>
               </module>
               <module cmlx:templateRef="thermochemistry" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:temp" units="si:k">298.15</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:press" units="nonsi:atm">1.00</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:totalmass">449.52</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-1205.15143996</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.41638760</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.02213916</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalrotcorrection"
                             units="nonsi:hartree">0.00141627</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltrasncorrection"
                             units="nonsi:hartree">0.00141627</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermaltotal"
                             units="nonsi:hartree">-1204.71008065</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.02497170</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.41638760</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.44135931</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-1204.71008065</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-1204.70913644</scalar>
               </module>
               <module cmlx:templateRef="entropy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:elect" units="nonsi:hartree">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:vibrat" units="nonsi:hartree">0.03923792</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01666290</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02099990</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.07690072</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074221597</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="515">0 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 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="515">2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="515"
                            units="nonsi:electronvolt">-531.2031 -530.1530 -400.5743 -399.9398 -289.4823 -288.6476 -286.4819 -286.2980 -286.2896 -286.2240 -286.2220 -286.1286 -286.0472 -286.0304 -285.5352 -285.0406 -285.0140 -284.9845 -284.9818 -284.9494 -284.9208 -284.8624 -284.6519 -284.6026 -284.5947 -284.5554 -90.3727 -59.0732 -58.4212 -58.2608 -37.4645 -36.4977 -33.9487 -33.3882 -31.5672 -30.1455 -30.0018 -28.4744 -28.4144 -28.3640 -27.9342 -27.1102 -27.0054 -26.7896 -26.5236 -25.0213 -24.4649 -24.1482 -24.1375 -24.0256 -23.5497 -23.4522 -22.7996 -22.3903 -22.0515 -21.6318 -21.5059 -21.4662 -20.6067 -20.0923 -19.9448 -19.8937 -19.7955 -19.7066 -19.5823 -19.4778 -19.3240 -19.0698 -19.0365 -18.8832 -18.4095 -18.3294 -18.2298 -18.0892 -18.0265 -18.0001 -17.7910 -17.6996 -17.6371 -17.2255 -17.0185 -16.9610 -16.9283 -16.8585 -16.5386 -16.2358 -16.1633 -16.0743 -16.0086 -15.7997 -15.6676 -15.4797 -14.7439 -14.2601 -13.6862 -13.5994 -13.4206 -13.3393 -13.0320 -12.8980 -8.5776 -7.8815 -7.4061 -7.0227 -6.6934 -6.4680 -6.3048 -6.2164 -6.1101 -5.3895 -5.1879 -4.6517 -4.4982 -4.1139 -4.0209 -3.7054 -3.6423 -3.1949 -3.1477 -2.9520 -2.6860 -2.6141 -2.5421 -2.4403 -2.1927 -2.0406 -2.0084 -1.9440 -1.8728 -1.7825 -1.6762 -1.6382 -1.5153 -1.4352 -1.3252 -0.9830 -0.8865 -0.8576 -0.7286 -0.5176 -0.4300 -0.1259 0.0113 0.2231 0.5423 0.7226 0.8441 1.0179 1.3424 1.4055 1.6517 1.7226 1.8408 1.9489 2.0808 2.3176 2.4207 2.5638 2.6704 2.9457 3.4140 3.6840 3.9834 4.3247 4.4055 4.4981 4.5026 4.7141 4.8134 4.9081 5.2355 5.3267 5.3617 5.4082 5.8904 5.9145 6.1554 6.2733 6.3975 6.5020 6.5647 6.7015 6.9189 7.2024 7.3872 7.4418 7.5684 7.6763 7.7326 7.7707 8.0233 8.1294 8.3813 8.5168 8.5747 8.6912 8.8709 9.1472 9.3163 9.4980 9.6696 9.8541 10.0144 10.1583 10.5201 10.6354 10.8024 10.9667 11.2511 11.4484 11.4664 11.6694 11.6971 11.7681 11.8013 11.9203 12.0966 12.2374 12.3609 12.4411 12.4542 12.5484 12.6557 12.6655 12.7270 12.7712 12.9240 13.0397 13.2109 13.2318 13.3236 13.4450 13.5499 13.6697 13.7223 13.7576 13.9241 14.0517 14.1373 14.3155 14.5307 14.6192 14.6530 14.7636 14.7885 14.9417 15.1703 15.2151 15.3057 15.5521 15.7611 15.9017 15.9517 16.3470 16.4592 16.5912 16.8742 16.9587 17.4340 17.4942 17.7644 17.8152 18.0149 18.6394 18.6911 19.0424 19.1792 19.6455 19.7804 19.9668 20.3341 20.8490 21.1622 21.4141 21.7908 22.2380 22.3018 22.7888 23.1727 23.6617 24.0087 24.5575 25.0868 25.5616 25.9082 26.1098 26.3615 26.4661 26.7133 26.8453 27.1412 27.1703 27.3876 27.6232 27.7320 28.2039 28.3158 28.4552 28.5138 28.9068 29.1822 29.4043 29.6484 29.8054 29.8303 30.1284 30.3229 30.6221 31.1263 31.3706 31.4877 32.1220 32.7447 33.3013 33.6924 33.7221 34.5975 34.7506 35.1203 35.2495 35.3413 35.7011 35.7416 35.9954 36.5181 36.7569 37.0993 37.5892 37.8514 37.9642 38.4926 38.7855 39.2008 39.3954 39.6103 39.7953 39.9124 39.9762 40.1322 40.2691 40.4269 40.7824 41.0217 41.0514 41.0760 41.3091 41.5985 41.6309 41.7522 41.8115 41.8587 42.1362 42.3695 42.4247 42.5201 42.7250 42.7955 42.8163 43.0072 43.0452 43.1337 43.2456 43.3680 43.4293 43.5464 43.7300 43.8318 44.0037 44.2280 44.5098 44.7273 45.1027 45.2589 45.3679 45.6723 45.8347 46.2484 46.4683 46.7158 46.8154 47.0172 47.1418 47.2963 47.3168 47.5120 47.6821 47.7833 48.0255 48.2168 48.3125 48.4759 48.6049 48.7933 49.1750 49.4576 49.7093 49.7336 50.0775 50.1576 50.2861 50.5348 50.7388 51.0494 51.0845 51.2895 51.5366 51.5600 51.7758 52.0803 52.3835 52.6304 53.0477 53.1926 53.4256 53.5135 53.8765 53.9595 54.1252 54.2715 55.0597 55.1361 55.2250 55.5402 55.7466 55.9402 56.0227 56.5268 56.6570 56.8705 56.9765 57.2463 57.3024 57.5980 57.6699 58.0257 58.1886 58.3137 58.4515 58.6865 58.9783 59.3180 59.9753 60.1706 60.4129 60.5257 60.7264 60.9663 61.5764 61.8310 62.7549 62.8911 63.3128 63.5808 64.0156 64.2171 64.4084 64.5393 64.7481 65.5771 65.7032 65.9141 66.1395 66.4258 66.8055 67.1722 68.0654 68.2983 68.4265 68.6536 68.8397 69.1402 69.2170 69.2819 69.8316 70.2176 70.4357 70.6492 70.8440 71.1819 71.3954 71.7520 71.9128 72.3404 72.6523 72.8100 73.1121 73.4239 73.5898 73.8924 74.2821 74.8560 75.7711 76.3717 76.8461 77.4040 77.4928 77.8116 78.1666 78.7180 79.1212 79.4549 80.2953 80.5908 81.9924 82.4455 82.9172 86.3933 90.8304 90.9766 91.4256 91.6322 94.2130 94.4193 95.5792 1241.6876</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">2.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="51">-0.217035 0.058317 0.052703 0.086901 0.031975 0.033964 0.091554 0.111307 0.104520 0.111976 0.112980 0.105200 0.119319 -0.344094 0.166354 -0.093422 0.140448 0.172844 -0.010477 0.003421 0.025306 -0.052240 -0.283367 0.350522 0.041652 0.080850 0.071005 0.055798 -0.027682 0.128470 0.083678 0.106317 -0.312535 0.172382 -0.030763 0.137562 0.126625 0.098752 -0.092701 -0.001071 0.205508 0.019592 -0.002611 -0.047965 0.023587 -0.017809 0.050762 0.037721 0.070792 0.073701 0.069407</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="51">-0.584243 0.107002 0.062683 0.112721 0.082495 0.072529 0.124960 0.081117 0.077604 0.082527 0.081429 0.077394 0.083826 -0.066684 0.144267 0.080598 0.046351 0.115588 -0.026393 0.033948 -0.010888 0.016363 -0.102226 0.138529 0.049674 0.062342 0.058789 0.051169 -0.060427 0.082810 0.054930 0.071568 0.011343 0.179613 -0.051262 0.087489 0.081194 0.065057 0.107991 -0.025730 0.129750 -0.020277 -0.033672 -0.010198 0.008349 0.004459 0.049359 0.044847 0.055696 0.057564 0.056071</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="51">0 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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="51">Ru C C C C C C H H H H H H O C N C H C C C C C H H H H H C H H H O C C H H H N C H C C C C C H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="51">16.2170 5.9417 5.9473 5.9131 5.9680 5.9660 5.9084 0.8887 0.8955 0.8880 0.8870 0.8948 0.8807 8.3441 5.8336 7.0934 5.8596 0.8272 6.0105 5.9966 5.9747 6.0522 6.2834 0.6495 0.9583 0.9192 0.9290 0.9442 6.0277 0.8715 0.9163 0.8937 8.3125 5.8276 6.0308 0.8624 0.8734 0.9012 7.0927 6.0011 0.7945 5.9804 6.0026 6.0480 5.9764 6.0178 0.9492 0.9623 0.9292 0.9263 0.9306</array>
                     <array dataType="xsd:double" dictRef="o:za" size="51">16.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 8.0000 6.0000 7.0000 6.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 8.0000 6.0000 6.0000 1.0000 1.0000 1.0000 7.0000 6.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="51">-0.2170 0.0583 0.0527 0.0869 0.0320 0.0340 0.0916 0.1113 0.1045 0.1120 0.1130 0.1052 0.1193 -0.3441 0.1664 -0.0934 0.1404 0.1728 -0.0105 0.0034 0.0253 -0.0522 -0.2834 0.3505 0.0417 0.0808 0.0710 0.0558 -0.0277 0.1285 0.0837 0.1063 -0.3125 0.1724 -0.0308 0.1376 0.1266 0.0988 -0.0927 -0.0011 0.2055 0.0196 -0.0026 -0.0480 0.0236 -0.0178 0.0508 0.0377 0.0708 0.0737 0.0694</array>
                     <array dataType="xsd:double" dictRef="o:va" size="51">5.0574 3.7876 3.7897 3.7693 3.8178 3.8205 3.7614 0.9777 0.9823 0.9797 0.9803 0.9834 0.9800 2.2163 4.1036 3.3203 3.9695 0.9873 3.8320 3.8673 3.8134 3.9472 3.6487 0.9264 0.9945 0.9805 0.9818 0.9850 3.8935 0.9859 0.9949 0.9942 2.2060 4.1203 3.8838 0.9839 0.9927 0.9954 3.3707 3.8206 0.9645 3.8812 3.8671 3.8853 3.8307 3.8885 0.9930 0.9941 0.9811 0.9815 0.9842</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="51">5.0574 3.7876 3.7897 3.7693 3.8178 3.8205 3.7614 0.9777 0.9823 0.9797 0.9803 0.9834 0.9800 2.2163 4.1036 3.3203 3.9695 0.9873 3.8320 3.8673 3.8134 3.9472 3.6487 0.9264 0.9945 0.9805 0.9818 0.9850 3.8935 0.9859 0.9949 0.9942 2.2060 4.1203 3.8838 0.9839 0.9927 0.9954 3.3707 3.8206 0.9645 3.8812 3.8671 3.8853 3.8307 3.8885 0.9930 0.9941 0.9811 0.9815 0.9842</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="51">0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000</array>
                  </module>
                  <module cmlx:templateRef="bonds">
                     <array dataType="xsd:double" dictRef="x:distance" size="60">0.5903 0.4209 0.4723 0.6545 0.5338 0.5483 0.5234 0.6482 0.2933 1.0815 1.1194 0.9809 1.2221 0.9879 1.0572 0.9811 1.0954 0.9811 1.1183 0.9865 0.9766 1.5083 1.2985 1.0765 1.0348 0.8957 1.3770 1.2894 1.3983 0.9789 1.3421 0.9762 1.4187 0.9863 1.3038 0.9720 0.2564 0.4875 0.9306 0.9550 0.9366 1.3170 1.0733 1.4931 0.9270 0.9258 0.9484 0.8895 0.8957 1.3635 1.3822 1.3958 0.9885 1.3839 0.9928 1.3876 0.9809 1.3841 0.9873 0.9771</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="60">0 1 0 2 0 3 0 4 0 5 0 6 0 13 0 22 0 32 1 2 1 5 1 7 2 3 2 8 3 4 3 9 4 6 4 10 5 6 5 11 6 12 13 14 14 15 14 28 15 16 15 17 16 18 16 22 18 19 18 24 19 20 19 25 20 21 20 26 21 22 21 27 22 23 23 32 28 29 28 30 28 31 32 33 33 34 33 38 34 35 34 36 34 37 38 39 38 40 39 41 39 42 41 45 41 46 42 43 42 47 43 44 43 48 44 45 44 49 45 50</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.074221673</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-1205.151440939219</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-28.21994 27.12248 -1.09746 39.89102 -38.76582 1.12520 -103.89474 103.94219 0.04744</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">1.57249</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">3.99696</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
