<?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="4">1 2 3 4</array>
<array dataType="xsd:string" dictRef="o:primitive" size="4">7s6p5d1f 7s4p1d 7s4p1d 4s1p</array>
<array dataType="xsd:string" dictRef="o:contraction" size="4">5s3p2d1f 3s2p1d 3s2p1d 2s1p</array>
</list>
<list dictRef="atombasis">
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:integer" dictRef="o:group" size="21">1 2 2 2 2 3 4 3 4 3 3 3 3 3 3 4 4 4 4 4 4</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">Pd</scalar>
<scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</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">Pd</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">Pd</scalar>
<scalar dataType="xsd:string" dictRef="o:ecptype">ECP Def2-ECP</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">Pd</scalar>
<scalar dataType="xsd:integer" dictRef="o:group">1</scalar>
</list>
</list>
</module>
</module>
</parameterList>
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.400373" y3="0.173401" z3="1.846015"/>
<atom elementType="O" id="a2" x3="1.096726" y3="1.514549" z3="1.337893"/>
<atom elementType="O" id="a3" x3="1.479202" y3="-0.261805" z3="2.512413"/>
<atom elementType="O" id="a4" x3="-2.39157" y3="0.581531" z3="1.328431"/>
<atom elementType="O" id="a5" x3="-1.807245" y3="-1.176006" z3="2.450168"/>
<atom elementType="C" id="a6" x3="-2.718526" y3="-0.476914" z3="1.923398"/>
<atom elementType="H" id="a7" x3="-3.774908" y3="-0.798061" z3="1.991908"/>
<atom elementType="C" id="a8" x3="1.911031" y3="0.796946" z3="1.975056"/>
<atom elementType="H" id="a9" x3="2.973793" y3="1.084295" z3="2.082443"/>
<atom elementType="C" id="a10" x3="0.085545" y3="1.172613" z3="-1.937959"/>
<atom elementType="C" id="a11" x3="-0.963296" y3="0.406074" z3="-1.434732"/>
<atom elementType="C" id="a12" x3="-0.725575" y3="-0.901565" z3="-1.005598"/>
<atom elementType="C" id="a13" x3="1.369035" y3="0.632688" z3="-2.016287"/>
<atom elementType="C" id="a14" x3="1.607543" y3="-0.670555" z3="-1.581238"/>
<atom elementType="C" id="a15" x3="0.559723" y3="-1.439465" z3="-1.074195"/>
<atom elementType="H" id="a16" x3="-1.546399" y3="-1.506604" z3="-0.613186"/>
<atom elementType="H" id="a17" x3="0.74403" y3="-2.457231" z3="-0.722459"/>
<atom elementType="H" id="a18" x3="-0.096972" y3="2.199886" z3="-2.261654"/>
<atom elementType="H" id="a19" x3="-1.96411" y3="0.833243" z3="-1.344599"/>
<atom elementType="H" id="a20" x3="2.189143" y3="1.234386" z3="-2.415117"/>
<atom elementType="H" id="a21" x3="2.61411" y3="-1.091911" z3="-1.639576"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4004,.1734,1.846;1.0967,1.5145,1.3379;1.4792,-.2618,2.5124;-2.3916,.5815,1.3284;-1.8072,-1.176,2.4502;-2.7185,-.4769,1.9234;-3.7749,-.7981,1.9919;1.911,.7969,1.9751;2.9738,1.0843,2.0824;.0855,1.1726,-1.938;-.9633,.4061,-1.4347;-.7256,-.9016,-1.0056;1.369,.6327,-2.0163;1.6075,-.6706,-1.5812;.5597,-1.4395,-1.0742;-1.5464,-1.5066,-.6132;.744,-2.4572,-.7225;-.097,2.1999,-2.2617;-1.9641,.8332,-1.3446;2.1891,1.2344,-2.4151;2.6141,-1.0919,-1.6396;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</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">765</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">ieip_Pd_benzene_CH_run_2_minim_B</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">0</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">106</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">239</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">945.7201771115 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">2.930e-04</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.023 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">0.004 sec</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.028 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">765</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">ieip_Pd_benzene_CH_run_2_minim_B</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">0</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">106</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">239</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">948.5039858626 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">2.916e-04</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.008 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">0.004 sec</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.014 sec</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="input" id="initialization">
<module cmlx:templateRef="job">
<scalar dataType="xsd:integer" dictRef="o:charge">0</scalar>
<scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
<array dataType="xsd:string" dictRef="cc:keywords" size="10">PBE0 D3BJ def2-SVP def2/J RIJCOSX TightSCF defgrid3 TightOpt Freq pal8</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">maxiter 600</scalar>
</module>
<module cmlx:templateRef="block">
<scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
<scalar dataType="xsd:string" dictRef="o:parameters">3000</scalar>
<scalar dataType="xsd:string" dictRef="o:parameter"/>
</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="Pd" id="a1" x3="-0.402927" y3="0.174889" z3="1.861085"/>
<atom elementType="O" id="a2" x3="1.091314" y3="1.52026" z3="1.357676"/>
<atom elementType="O" id="a3" x3="1.478682" y3="-0.262326" z3="2.521419"/>
<atom elementType="O" id="a4" x3="-2.394751" y3="0.585888" z3="1.347059"/>
<atom elementType="O" id="a5" x3="-1.811094" y3="-1.174606" z3="2.46484"/>
<atom elementType="C" id="a6" x3="-2.72212" y3="-0.473276" z3="1.940166"/>
<atom elementType="H" id="a7" x3="-3.779408" y3="-0.79214" z3="2.007406"/>
<atom elementType="C" id="a8" x3="1.90792" y3="0.799644" z3="1.987909"/>
<atom elementType="H" id="a9" x3="2.971256" y3="1.086425" z3="2.087529"/>
<atom elementType="C" id="a10" x3="0.087519" y3="1.17083" z3="-1.947304"/>
<atom elementType="C" id="a11" x3="-0.961549" y3="0.403257" z3="-1.445804"/>
<atom elementType="C" id="a12" x3="-0.723566" y3="-0.904769" z3="-1.017643"/>
<atom elementType="C" id="a13" x3="1.372338" y3="0.63283" z3="-2.021858"/>
<atom elementType="C" id="a14" x3="1.610842" y3="-0.671546" z3="-1.589876"/>
<atom elementType="C" id="a15" x3="0.562187" y3="-1.442597" z3="-1.087537"/>
<atom elementType="H" id="a16" x3="-1.544901" y3="-1.51132" z3="-0.628772"/>
<atom elementType="H" id="a17" x3="0.746243" y3="-2.462189" z3="-0.740662"/>
<atom elementType="H" id="a18" x3="-0.095263" y3="2.197689" z3="-2.271934"/>
<atom elementType="H" id="a19" x3="-1.963146" y3="0.828458" z3="-1.358606"/>
<atom elementType="H" id="a20" x3="2.193352" y3="1.236155" z3="-2.416858"/>
<atom elementType="H" id="a21" x3="2.617982" y3="-1.092062" z3="-1.647107"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4029,.1749,1.8611;1.0913,1.5203,1.3577;1.4787,-.2623,2.5214;-2.3948,.5859,1.3471;-1.8111,-1.1746,2.4648;-2.7221,-.4733,1.9402;-3.7794,-.7921,2.0074;1.9079,.7996,1.9879;2.9713,1.0864,2.0875;.0875,1.1708,-1.9473;-.9615,.4033,-1.4458;-.7236,-.9048,-1.0176;1.3723,.6328,-2.0219;1.6108,-.6715,-1.5899;.5622,-1.4426,-1.0875;-1.5449,-1.5113,-.6288;.7462,-2.4622,-.7407;-.0953,2.1977,-2.2719;-1.9631,.8285,-1.3586;2.1934,1.2362,-2.4169;2.618,-1.0921,-1.6471;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.407529" y3="0.177267" z3="1.882731"/>
<atom elementType="O" id="a2" x3="1.078638" y3="1.531244" z3="1.385092"/>
<atom elementType="O" id="a3" x3="1.480351" y3="-0.264266" z3="2.524545"/>
<atom elementType="O" id="a4" x3="-2.398401" y3="0.59283" z3="1.375212"/>
<atom elementType="O" id="a5" x3="-1.817592" y3="-1.173457" z3="2.485732"/>
<atom elementType="C" id="a6" x3="-2.727362" y3="-0.468297" z3="1.963981"/>
<atom elementType="H" id="a7" x3="-3.785968" y3="-0.783513" z3="2.026216"/>
<atom elementType="C" id="a8" x3="1.902759" y3="0.803531" z3="1.996872"/>
<atom elementType="H" id="a9" x3="2.968141" y3="1.088646" z3="2.07616"/>
<atom elementType="C" id="a10" x3="0.091744" y3="1.168445" z3="-1.956167"/>
<atom elementType="C" id="a11" x3="-0.958456" y3="0.398342" z3="-1.4604"/>
<atom elementType="C" id="a12" x3="-0.720998" y3="-0.910009" z3="-1.034852"/>
<atom elementType="C" id="a13" x3="1.378283" y3="0.633782" z3="-2.02298"/>
<atom elementType="C" id="a14" x3="1.615877" y3="-0.672696" z3="-1.59676"/>
<atom elementType="C" id="a15" x3="0.564926" y3="-1.44746" z3="-1.105136"/>
<atom elementType="H" id="a16" x3="-1.543879" y3="-1.518607" z3="-0.651435"/>
<atom elementType="H" id="a17" x3="0.748081" y3="-2.47011" z3="-0.76675"/>
<atom elementType="H" id="a18" x3="-0.090937" y3="2.194912" z3="-2.282126"/>
<atom elementType="H" id="a19" x3="-1.961991" y3="0.820491" z3="-1.379284"/>
<atom elementType="H" id="a20" x3="2.201327" y3="1.240104" z3="-2.409254"/>
<atom elementType="H" id="a21" x3="2.623895" y3="-1.091683" z3="-1.650268"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4075,.1773,1.8827;1.0786,1.5312,1.3851;1.4804,-.2643,2.5245;-2.3984,.5928,1.3752;-1.8176,-1.1735,2.4857;-2.7274,-.4683,1.964;-3.786,-.7835,2.0262;1.9028,.8035,1.9969;2.9681,1.0886,2.0762;.0917,1.1684,-1.9562;-.9585,.3983,-1.4604;-.721,-.91,-1.0349;1.3783,.6338,-2.023;1.6159,-.6727,-1.5968;.5649,-1.4475,-1.1051;-1.5439,-1.5186,-.6514;.7481,-2.4701,-.7668;-.0909,2.1949,-2.2821;-1.962,.8205,-1.3793;2.2013,1.2401,-2.4093;2.6239,-1.0917,-1.6503;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.413104" y3="0.179839" z3="1.902456"/>
<atom elementType="O" id="a2" x3="1.060727" y3="1.544241" z3="1.408137"/>
<atom elementType="O" id="a3" x3="1.48459" y3="-0.26675" z3="2.514962"/>
<atom elementType="O" id="a4" x3="-2.400521" y3="0.600626" z3="1.403633"/>
<atom elementType="O" id="a5" x3="-1.824822" y3="-1.174083" z3="2.503456"/>
<atom elementType="C" id="a6" x3="-2.732385" y3="-0.46396" z3="1.98542"/>
<atom elementType="H" id="a7" x3="-3.792379" y3="-0.775814" z3="2.039847"/>
<atom elementType="C" id="a8" x3="1.897049" y3="0.80705" z3="1.991988"/>
<atom elementType="H" id="a9" x3="2.964862" y3="1.089473" z3="2.042394"/>
<atom elementType="C" id="a10" x3="0.097224" y3="1.167005" z3="-1.958197"/>
<atom elementType="C" id="a11" x3="-0.95523" y3="0.393393" z3="-1.472124"/>
<atom elementType="C" id="a12" x3="-0.7192" y3="-0.915971" z3="-1.050528"/>
<atom elementType="C" id="a13" x3="1.385234" y3="0.635357" z3="-2.015661"/>
<atom elementType="C" id="a14" x3="1.621067" y3="-0.673799" z3="-1.596252"/>
<atom elementType="C" id="a15" x3="0.566974" y3="-1.452826" z3="-1.118542"/>
<atom elementType="H" id="a16" x3="-1.543957" y3="-1.526108" z3="-0.673195"/>
<atom elementType="H" id="a17" x3="0.748906" y3="-2.478622" z3="-0.789035"/>
<atom elementType="H" id="a18" x3="-0.084575" y3="2.193562" z3="-2.284368"/>
<atom elementType="H" id="a19" x3="-1.960617" y3="0.812765" z3="-1.398699"/>
<atom elementType="H" id="a20" x3="2.211034" y3="1.245301" z3="-2.390282"/>
<atom elementType="H" id="a21" x3="2.630031" y3="-1.091183" z3="-1.644285"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4131,.1798,1.9025;1.0607,1.5442,1.4081;1.4846,-.2667,2.515;-2.4005,.6006,1.4036;-1.8248,-1.1741,2.5035;-2.7324,-.464,1.9854;-3.7924,-.7758,2.0398;1.897,.8071,1.992;2.9649,1.0895,2.0424;.0972,1.167,-1.9582;-.9552,.3934,-1.4721;-.7192,-.916,-1.0505;1.3852,.6354,-2.0157;1.6211,-.6738,-1.5963;.567,-1.4528,-1.1185;-1.544,-1.5261,-.6732;.7489,-2.4786,-.789;-.0846,2.1936,-2.2844;-1.9606,.8128,-1.3987;2.211,1.2453,-2.3903;2.63,-1.0912,-1.6443;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.41945" y3="0.182324" z3="1.91827"/>
<atom elementType="O" id="a2" x3="1.037891" y3="1.558017" z3="1.423394"/>
<atom elementType="O" id="a3" x3="1.491418" y3="-0.269342" z3="2.490233"/>
<atom elementType="O" id="a4" x3="-2.400615" y3="0.609385" z3="1.431312"/>
<atom elementType="O" id="a5" x3="-1.832449" y3="-1.177497" z3="2.514841"/>
<atom elementType="C" id="a6" x3="-2.736891" y3="-0.46061" z3="2.002314"/>
<atom elementType="H" id="a7" x3="-3.798147" y3="-0.76961" z3="2.046751"/>
<atom elementType="C" id="a8" x3="1.890784" y3="0.810002" z3="1.969731"/>
<atom elementType="H" id="a9" x3="2.960611" y3="1.088864" z3="1.983819"/>
<atom elementType="C" id="a10" x3="0.103931" y3="1.166873" z3="-1.951405"/>
<atom elementType="C" id="a11" x3="-0.952043" y3="0.389004" z3="-1.479382"/>
<atom elementType="C" id="a12" x3="-0.718425" y3="-0.922513" z3="-1.063213"/>
<atom elementType="C" id="a13" x3="1.393049" y3="0.637371" z3="-1.998674"/>
<atom elementType="C" id="a14" x3="1.626221" y3="-0.674831" z3="-1.586843"/>
<atom elementType="C" id="a15" x3="0.568385" y3="-1.458429" z3="-1.125338"/>
<atom elementType="H" id="a16" x3="-1.5455" y3="-1.533873" z3="-0.692864"/>
<atom elementType="H" id="a17" x3="0.748847" y3="-2.487062" z3="-0.803989"/>
<atom elementType="H" id="a18" x3="-0.076022" y3="2.19437" z3="-2.275579"/>
<atom elementType="H" id="a19" x3="-1.958895" y3="0.80648" z3="-1.414858"/>
<atom elementType="H" id="a20" x3="2.222131" y3="1.251324" z3="-2.359286"/>
<atom elementType="H" id="a21" x3="2.636077" y3="-1.090754" z3="-1.628106"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4194,.1823,1.9183;1.0379,1.558,1.4234;1.4914,-.2693,2.4902;-2.4006,.6094,1.4313;-1.8324,-1.1775,2.5148;-2.7369,-.4606,2.0023;-3.7981,-.7696,2.0468;1.8908,.81,1.9697;2.9606,1.0889,1.9838;.1039,1.1669,-1.9514;-.952,.389,-1.4794;-.7184,-.9225,-1.0632;1.393,.6374,-1.9987;1.6262,-.6748,-1.5868;.5684,-1.4584,-1.1253;-1.5455,-1.5339,-.6929;.7488,-2.4871,-.804;-.076,2.1944,-2.2756;-1.9589,.8065,-1.4149;2.2221,1.2513,-2.3593;2.6361,-1.0908,-1.6281;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.425865" y3="0.184169" z3="1.927836"/>
<atom elementType="O" id="a2" x3="1.012236" y3="1.570506" z3="1.427353"/>
<atom elementType="O" id="a3" x3="1.500347" y3="-0.27187" z3="2.450208"/>
<atom elementType="O" id="a4" x3="-2.398494" y3="0.618958" z3="1.456522"/>
<atom elementType="O" id="a5" x3="-1.839836" y3="-1.184303" z3="2.516684"/>
<atom elementType="C" id="a6" x3="-2.740522" y3="-0.45844" z3="2.012361"/>
<atom elementType="H" id="a7" x3="-3.802807" y3="-0.765107" z3="2.0462"/>
<atom elementType="C" id="a8" x3="1.884126" y3="0.812079" z3="1.929374"/>
<atom elementType="H" id="a9" x3="2.95474" y3="1.086926" z3="1.903377"/>
<atom elementType="C" id="a10" x3="0.111379" y3="1.168064" z3="-1.935077"/>
<atom elementType="C" id="a11" x3="-0.949058" y3="0.385638" z3="-1.480714"/>
<atom elementType="C" id="a12" x3="-0.718686" y3="-0.929091" z3="-1.071314"/>
<atom elementType="C" id="a13" x3="1.401164" y3="0.639623" z3="-1.972568"/>
<atom elementType="C" id="a14" x3="1.630972" y3="-0.67552" z3="-1.568239"/>
<atom elementType="C" id="a15" x3="0.5692" y3="-1.463512" z3="-1.123503"/>
<atom elementType="H" id="a16" x3="-1.548417" y3="-1.541706" z3="-0.709273"/>
<atom elementType="H" id="a17" x3="0.748028" y3="-2.494212" z3="-0.808093"/>
<atom elementType="H" id="a18" x3="-0.065973" y3="2.197582" z3="-2.254141"/>
<atom elementType="H" id="a19" x3="-1.956753" y3="0.802504" z3="-1.42538"/>
<atom elementType="H" id="a20" x3="2.233586" y3="1.25753" z3="-2.3184"/>
<atom elementType="H" id="a21" x3="2.641544" y3="-1.090326" z3="-1.602085"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4259,.1842,1.9278;1.0122,1.5705,1.4274;1.5003,-.2719,2.4502;-2.3985,.619,1.4565;-1.8398,-1.1843,2.5167;-2.7405,-.4584,2.0124;-3.8028,-.7651,2.0462;1.8841,.8121,1.9294;2.9547,1.0869,1.9034;.1114,1.1681,-1.9351;-.9491,.3856,-1.4807;-.7187,-.9291,-1.0713;1.4012,.6396,-1.9726;1.631,-.6755,-1.5682;.5692,-1.4635,-1.1235;-1.5484,-1.5417,-.7093;.748,-2.4942,-.8081;-.066,2.1976,-2.2541;-1.9568,.8025,-1.4254;2.2336,1.2575,-2.3184;2.6415,-1.0903,-1.6021;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.431426" y3="0.184926" z3="1.930689"/>
<atom elementType="O" id="a2" x3="0.987248" y3="1.58011" z3="1.419679"/>
<atom elementType="O" id="a3" x3="1.51028" y3="-0.274472" z3="2.399623"/>
<atom elementType="O" id="a4" x3="-2.395172" y3="0.629055" z3="1.478878"/>
<atom elementType="O" id="a5" x3="-1.846249" y3="-1.194058" z3="2.508562"/>
<atom elementType="C" id="a6" x3="-2.743274" y3="-0.45726" z3="2.01569"/>
<atom elementType="H" id="a7" x3="-3.806363" y3="-0.76185" z3="2.04063"/>
<atom elementType="C" id="a8" x3="1.877356" y3="0.813303" z3="1.876402"/>
<atom elementType="H" id="a9" x3="2.947223" y3="1.08448" z3="1.81222"/>
<atom elementType="C" id="a10" x3="0.118808" y3="1.170056" z3="-1.911849"/>
<atom elementType="C" id="a11" x3="-0.946321" y3="0.383314" z3="-1.476695"/>
<atom elementType="C" id="a12" x3="-0.719628" y3="-0.934983" z3="-1.074906"/>
<atom elementType="C" id="a13" x3="1.408979" y3="0.641907" z3="-1.940967"/>
<atom elementType="C" id="a14" x3="1.635154" y3="-0.675656" z3="-1.543056"/>
<atom elementType="C" id="a15" x3="0.569547" y3="-1.467316" z3="-1.113948"/>
<atom elementType="H" id="a16" x3="-1.552227" y3="-1.549487" z3="-0.723172"/>
<atom elementType="H" id="a17" x3="0.746474" y3="-2.499115" z3="-0.801363"/>
<atom elementType="H" id="a18" x3="-0.055755" y3="2.202513" z3="-2.222762"/>
<atom elementType="H" id="a19" x3="-1.95429" y3="0.800639" z3="-1.429812"/>
<atom elementType="H" id="a20" x3="2.244337" y3="1.2632" z3="-2.273325"/>
<atom elementType="H" id="a21" x3="2.646208" y3="-1.089812" z3="-1.569388"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4314,.1849,1.9307;.9872,1.5801,1.4197;1.5103,-.2745,2.3996;-2.3952,.6291,1.4789;-1.8462,-1.1941,2.5086;-2.7433,-.4573,2.0157;-3.8064,-.7619,2.0406;1.8774,.8133,1.8764;2.9472,1.0845,1.8122;.1188,1.1701,-1.9118;-.9463,.3833,-1.4767;-.7196,-.935,-1.0749;1.409,.6419,-1.941;1.6352,-.6757,-1.5431;.5695,-1.4673,-1.1139;-1.5522,-1.5495,-.7232;.7465,-2.4991,-.8014;-.0558,2.2025,-2.2228;-1.9543,.8006,-1.4298;2.2443,1.2632,-2.2733;2.6462,-1.0898,-1.5694;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.435675" y3="0.184578" z3="1.928958"/>
<atom elementType="O" id="a2" x3="0.964814" y3="1.587254" z3="1.404118"/>
<atom elementType="O" id="a3" x3="1.520428" y3="-0.277508" z3="2.344291"/>
<atom elementType="O" id="a4" x3="-2.392549" y3="0.639612" z3="1.500794"/>
<atom elementType="O" id="a5" x3="-1.851327" y3="-1.205672" z3="2.493509"/>
<atom elementType="C" id="a6" x3="-2.745592" y3="-0.456658" z3="2.01564"/>
<atom elementType="H" id="a7" x3="-3.809408" y3="-0.758943" z3="2.034579"/>
<atom elementType="C" id="a8" x3="1.870505" y3="0.814327" z3="1.818645"/>
<atom elementType="H" id="a9" x3="2.938288" y3="1.083265" z3="1.720813"/>
<atom elementType="C" id="a10" x3="0.126044" y3="1.172203" z3="-1.885937"/>
<atom elementType="C" id="a11" x3="-0.943621" y3="0.38161" z3="-1.469934"/>
<atom elementType="C" id="a12" x3="-0.720814" y3="-0.939939" z3="-1.076133"/>
<atom elementType="C" id="a13" x3="1.416548" y3="0.644119" z3="-1.90755"/>
<atom elementType="C" id="a14" x3="1.639017" y3="-0.675478" z3="-1.514954"/>
<atom elementType="C" id="a15" x3="0.569514" y3="-1.469955" z3="-1.100524"/>
<atom elementType="H" id="a16" x3="-1.556569" y3="-1.557394" z3="-0.737364"/>
<atom elementType="H" id="a17" x3="0.743942" y3="-2.502272" z3="-0.788509"/>
<atom elementType="H" id="a18" x3="-0.045783" y3="2.208056" z3="-2.186865"/>
<atom elementType="H" id="a19" x3="-1.951659" y3="0.799672" z3="-1.430669"/>
<atom elementType="H" id="a20" x3="2.254468" y3="1.26802" z3="-2.228314"/>
<atom elementType="H" id="a21" x3="2.650339" y3="-1.089402" z3="-1.533467"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4357,.1846,1.929;.9648,1.5873,1.4041;1.5204,-.2775,2.3443;-2.3925,.6396,1.5008;-1.8513,-1.2057,2.4935;-2.7456,-.4567,2.0156;-3.8094,-.7589,2.0346;1.8705,.8143,1.8186;2.9383,1.0833,1.7208;.126,1.1722,-1.8859;-.9436,.3816,-1.4699;-.7208,-.9399,-1.0761;1.4165,.6441,-1.9076;1.639,-.6755,-1.515;.5695,-1.47,-1.1005;-1.5566,-1.5574,-.7374;.7439,-2.5023,-.7885;-.0458,2.2081,-2.1869;-1.9517,.7997,-1.4307;2.2545,1.268,-2.2283;2.6503,-1.0894,-1.5335;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.438747" y3="0.183399" z3="1.925485"/>
<atom elementType="O" id="a2" x3="0.944937" y3="1.593332" z3="1.385853"/>
<atom elementType="O" id="a3" x3="1.530295" y3="-0.280986" z3="2.288558"/>
<atom elementType="O" id="a4" x3="-2.392373" y3="0.650888" z3="1.525823"/>
<atom elementType="O" id="a5" x3="-1.855154" y3="-1.218056" z3="2.475372"/>
<atom elementType="C" id="a6" x3="-2.748078" y3="-0.456133" z3="2.016528"/>
<atom elementType="H" id="a7" x3="-3.812677" y3="-0.755624" z3="2.032615"/>
<atom elementType="C" id="a8" x3="1.863409" y3="0.816004" z3="1.762507"/>
<atom elementType="H" id="a9" x3="2.928033" y3="1.085081" z3="1.635674"/>
<atom elementType="C" id="a10" x3="0.133399" y3="1.174085" z3="-1.860962"/>
<atom elementType="C" id="a11" x3="-0.940655" y3="0.380098" z3="-1.463484"/>
<atom elementType="C" id="a12" x3="-0.721874" y3="-0.944288" z3="-1.077735"/>
<atom elementType="C" id="a13" x3="1.424234" y3="0.646069" z3="-1.874836"/>
<atom elementType="C" id="a14" x3="1.642921" y3="-0.675555" z3="-1.487104"/>
<atom elementType="C" id="a15" x3="0.569297" y3="-1.47227" z3="-1.087491"/>
<atom elementType="H" id="a16" x3="-1.561043" y3="-1.565754" z3="-0.754927"/>
<atom elementType="H" id="a17" x3="0.740448" y3="-2.505077" z3="-0.775458"/>
<atom elementType="H" id="a18" x3="-0.035595" y3="2.213356" z3="-2.151499"/>
<atom elementType="H" id="a19" x3="-1.94886" y3="0.798524" z3="-1.431575"/>
<atom elementType="H" id="a20" x3="2.264641" y3="1.2719" z3="-2.18514"/>
<atom elementType="H" id="a21" x3="2.65435" y3="-1.089499" z3="-1.497077"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4387,.1834,1.9255;.9449,1.5933,1.3859;1.5303,-.281,2.2886;-2.3924,.6509,1.5258;-1.8552,-1.2181,2.4754;-2.7481,-.4561,2.0165;-3.8127,-.7556,2.0326;1.8634,.816,1.7625;2.928,1.0851,1.6357;.1334,1.1741,-1.861;-.9407,.3801,-1.4635;-.7219,-.9443,-1.0777;1.4242,.6461,-1.8748;1.6429,-.6756,-1.4871;.5693,-1.4723,-1.0875;-1.561,-1.5658,-.7549;.7404,-2.5051,-.7755;-.0356,2.2134,-2.1515;-1.9489,.7985,-1.4316;2.2646,1.2719,-2.1851;2.6543,-1.0895,-1.4971;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.44049" y3="0.182034" z3="1.922967"/>
<atom elementType="O" id="a2" x3="0.931823" y3="1.598218" z3="1.37292"/>
<atom elementType="O" id="a3" x3="1.537314" y3="-0.283926" z3="2.248263"/>
<atom elementType="O" id="a4" x3="-2.396146" y3="0.660807" z3="1.550911"/>
<atom elementType="O" id="a5" x3="-1.857264" y3="-1.227686" z3="2.460655"/>
<atom elementType="C" id="a6" x3="-2.750897" y3="-0.455364" z3="2.021222"/>
<atom elementType="H" id="a7" x3="-3.81618" y3="-0.752422" z3="2.038775"/>
<atom elementType="C" id="a8" x3="1.85789" y3="0.818474" z3="1.725203"/>
<atom elementType="H" id="a9" x3="2.919627" y3="1.090354" z3="1.581375"/>
<atom elementType="C" id="a10" x3="0.139388" y3="1.174981" z3="-1.845153"/>
<atom elementType="C" id="a11" x3="-0.937913" y3="0.378807" z3="-1.461044"/>
<atom elementType="C" id="a12" x3="-0.72226" y3="-0.94744" z3="-1.081327"/>
<atom elementType="C" id="a13" x3="1.430557" y3="0.647025" z3="-1.852433"/>
<atom elementType="C" id="a14" x3="1.646279" y3="-0.676258" z3="-1.468283"/>
<atom elementType="C" id="a15" x3="0.569273" y3="-1.474374" z3="-1.080573"/>
<atom elementType="H" id="a16" x3="-1.56416" y3="-1.573007" z3="-0.773944"/>
<atom elementType="H" id="a17" x3="0.737206" y3="-2.507815" z3="-0.768957"/>
<atom elementType="H" id="a18" x3="-0.02731" y3="2.216685" z3="-2.128188"/>
<atom elementType="H" id="a19" x3="-1.946488" y3="0.796894" z3="-1.435029"/>
<atom elementType="H" id="a20" x3="2.272974" y3="1.273831" z3="-2.155262"/>
<atom elementType="H" id="a21" x3="2.657687" y3="-1.090325" z3="-1.470969"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4405,.182,1.923;.9318,1.5982,1.3729;1.5373,-.2839,2.2483;-2.3961,.6608,1.5509;-1.8573,-1.2277,2.4607;-2.7509,-.4554,2.0212;-3.8162,-.7524,2.0388;1.8579,.8185,1.7252;2.9196,1.0904,1.5814;.1394,1.175,-1.8452;-.9379,.3788,-1.461;-.7223,-.9474,-1.0813;1.4306,.647,-1.8524;1.6463,-.6763,-1.4683;.5693,-1.4744,-1.0806;-1.5642,-1.573,-.7739;.7372,-2.5078,-.769;-.0273,2.2167,-2.1282;-1.9465,.7969,-1.435;2.273,1.2738,-2.1553;2.6577,-1.0903,-1.471;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.441908" y3="0.180649" z3="1.921442"/>
<atom elementType="O" id="a2" x3="0.922621" y3="1.603638" z3="1.365374"/>
<atom elementType="O" id="a3" x3="1.542457" y3="-0.287069" z3="2.216715"/>
<atom elementType="O" id="a4" x3="-2.405372" y3="0.67163" z3="1.581676"/>
<atom elementType="O" id="a5" x3="-1.85844" y3="-1.235781" z3="2.447576"/>
<atom elementType="C" id="a6" x3="-2.755122" y3="-0.453788" z3="2.032075"/>
<atom elementType="H" id="a7" x3="-3.820987" y3="-0.748701" z3="2.056174"/>
<atom elementType="C" id="a8" x3="1.853263" y3="0.822192" z3="1.701751"/>
<atom elementType="H" id="a9" x3="2.912486" y3="1.099915" z3="1.550327"/>
<atom elementType="C" id="a10" x3="0.145209" y3="1.174936" z3="-1.836728"/>
<atom elementType="C" id="a11" x3="-0.934828" y3="0.377197" z3="-1.463252"/>
<atom elementType="C" id="a12" x3="-0.721893" y3="-0.950455" z3="-1.088383"/>
<atom elementType="C" id="a13" x3="1.436741" y3="0.647073" z3="-1.837244"/>
<atom elementType="C" id="a14" x3="1.649835" y3="-0.677731" z3="-1.456163"/>
<atom elementType="C" id="a15" x3="0.569746" y3="-1.477007" z3="-1.07964"/>
<atom elementType="H" id="a16" x3="-1.566208" y3="-1.580838" z3="-0.798121"/>
<atom elementType="H" id="a17" x3="0.734346" y3="-2.511434" z3="-0.769506"/>
<atom elementType="H" id="a18" x3="-0.019315" y3="2.2184" z3="-2.114476"/>
<atom elementType="H" id="a19" x3="-1.944061" y3="0.794159" z3="-1.443155"/>
<atom elementType="H" id="a20" x3="2.281132" y3="1.274336" z3="-2.13365"/>
<atom elementType="H" id="a21" x3="2.661205" y3="-1.091827" z3="-1.451665"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4419,.1806,1.9214;.9226,1.6036,1.3654;1.5425,-.2871,2.2167;-2.4054,.6716,1.5817;-1.8584,-1.2358,2.4476;-2.7551,-.4538,2.0321;-3.821,-.7487,2.0562;1.8533,.8222,1.7018;2.9125,1.0999,1.5503;.1452,1.1749,-1.8367;-.9348,.3772,-1.4633;-.7219,-.9505,-1.0884;1.4367,.6471,-1.8372;1.6498,-.6777,-1.4562;.5697,-1.477,-1.0796;-1.5662,-1.5808,-.7981;.7343,-2.5114,-.7695;-.0193,2.2184,-2.1145;-1.9441,.7942,-1.4432;2.2811,1.2743,-2.1336;2.6612,-1.0918,-1.4517;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.443568" y3="0.180227" z3="1.921285"/>
<atom elementType="O" id="a2" x3="0.91793" y3="1.608888" z3="1.367568"/>
<atom elementType="O" id="a3" x3="1.544043" y3="-0.290193" z3="2.199042"/>
<atom elementType="O" id="a4" x3="-2.417008" y3="0.681051" z3="1.610386"/>
<atom elementType="O" id="a5" x3="-1.858815" y3="-1.239812" z3="2.440231"/>
<atom elementType="C" id="a6" x3="-2.759839" y3="-0.451158" z3="2.047157"/>
<atom elementType="H" id="a7" x3="-3.825912" y3="-0.744923" z3="2.080618"/>
<atom elementType="C" id="a8" x3="1.850397" y3="0.82581" z3="1.696345"/>
<atom elementType="H" id="a9" x3="2.908115" y3="1.110179" z3="1.546172"/>
<atom elementType="C" id="a10" x3="0.149705" y3="1.174028" z3="-1.83712"/>
<atom elementType="C" id="a11" x3="-0.932045" y3="0.375191" z3="-1.469966"/>
<atom elementType="C" id="a12" x3="-0.720773" y3="-0.953458" z3="-1.097505"/>
<atom elementType="C" id="a13" x3="1.441357" y3="0.646438" z3="-1.831807"/>
<atom elementType="C" id="a14" x3="1.652826" y3="-0.679371" z3="-1.453135"/>
<atom elementType="C" id="a15" x3="0.570952" y3="-1.479962" z3="-1.08511"/>
<atom elementType="H" id="a16" x3="-1.566537" y3="-1.587651" z3="-0.820047"/>
<atom elementType="H" id="a17" x3="0.733648" y3="-2.515592" z3="-0.777947"/>
<atom elementType="H" id="a18" x3="-0.013196" y3="2.218045" z3="-2.113693"/>
<atom elementType="H" id="a19" x3="-1.942023" y3="0.790638" z3="-1.455076"/>
<atom elementType="H" id="a20" x3="2.287318" y3="1.274152" z3="-2.122846"/>
<atom elementType="H" id="a21" x3="2.664334" y3="-1.093033" z3="-1.443425"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4436,.1802,1.9213;.9179,1.6089,1.3676;1.544,-.2902,2.199;-2.417,.6811,1.6104;-1.8588,-1.2398,2.4402;-2.7598,-.4512,2.0472;-3.8259,-.7449,2.0806;1.8504,.8258,1.6963;2.9081,1.1102,1.5462;.1497,1.174,-1.8371;-.932,.3752,-1.47;-.7208,-.9535,-1.0975;1.4414,.6464,-1.8318;1.6528,-.6794,-1.4531;.571,-1.48,-1.0851;-1.5665,-1.5877,-.82;.7336,-2.5156,-.7779;-.0132,2.218,-2.1137;-1.942,.7906,-1.4551;2.2873,1.2742,-2.1228;2.6643,-1.093,-1.4434;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.446033" y3="0.180875" z3="1.920449"/>
<atom elementType="O" id="a2" x3="0.913856" y3="1.614002" z3="1.375257"/>
<atom elementType="O" id="a3" x3="1.543371" y3="-0.293968" z3="2.18363"/>
<atom elementType="O" id="a4" x3="-2.427516" y3="0.689688" z3="1.635491"/>
<atom elementType="O" id="a5" x3="-1.858902" y3="-1.24141" z3="2.435355"/>
<atom elementType="C" id="a6" x3="-2.764218" y3="-0.44754" z3="2.062937"/>
<atom elementType="H" id="a7" x3="-3.830184" y3="-0.740837" z3="2.105995"/>
<atom elementType="C" id="a8" x3="1.847931" y3="0.828427" z3="1.695423"/>
<atom elementType="H" id="a9" x3="2.904509" y3="1.118318" z3="1.547694"/>
<atom elementType="C" id="a10" x3="0.153415" y3="1.172868" z3="-1.839478"/>
<atom elementType="C" id="a11" x3="-0.929465" y3="0.37261" z3="-1.477929"/>
<atom elementType="C" id="a12" x3="-0.7193" y3="-0.95704" z3="-1.106799"/>
<atom elementType="C" id="a13" x3="1.445017" y3="0.645975" z3="-1.828469"/>
<atom elementType="C" id="a14" x3="1.65551" y3="-0.680618" z3="-1.452415"/>
<atom elementType="C" id="a15" x3="0.572701" y3="-1.483161" z3="-1.092189"/>
<atom elementType="H" id="a16" x3="-1.565919" y3="-1.593584" z3="-0.837414"/>
<atom elementType="H" id="a17" x3="0.734912" y3="-2.520054" z3="-0.789031"/>
<atom elementType="H" id="a18" x3="-0.008328" y3="2.21679" z3="-2.117004"/>
<atom elementType="H" id="a19" x3="-1.940099" y3="0.786662" z3="-1.468387"/>
<atom elementType="H" id="a20" x3="2.292287" y3="1.274837" z3="-2.113269"/>
<atom elementType="H" id="a21" x3="2.667364" y3="-1.093345" z3="-1.438718"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.446,.1809,1.9204;.9139,1.614,1.3753;1.5434,-.294,2.1836;-2.4275,.6897,1.6355;-1.8589,-1.2414,2.4354;-2.7642,-.4475,2.0629;-3.8302,-.7408,2.106;1.8479,.8284,1.6954;2.9045,1.1183,1.5477;.1534,1.1729,-1.8395;-.9295,.3726,-1.4779;-.7193,-.957,-1.1068;1.445,.646,-1.8285;1.6555,-.6806,-1.4524;.5727,-1.4832,-1.0922;-1.5659,-1.5936,-.8374;.7349,-2.5201,-.789;-.0083,2.2168,-2.117;-1.9401,.7867,-1.4684;2.2923,1.2748,-2.1133;2.6674,-1.0933,-1.4387;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.450314" y3="0.182816" z3="1.916192"/>
<atom elementType="O" id="a2" x3="0.908001" y3="1.620813" z3="1.3877"/>
<atom elementType="O" id="a3" x3="1.540593" y3="-0.30044" z3="2.158439"/>
<atom elementType="O" id="a4" x3="-2.439503" y3="0.701139" z3="1.665396"/>
<atom elementType="O" id="a5" x3="-1.858586" y3="-1.24213" z3="2.427481"/>
<atom elementType="C" id="a6" x3="-2.769313" y3="-0.441753" z3="2.082668"/>
<atom elementType="H" id="a7" x3="-3.834759" y3="-0.735038" z3="2.139202"/>
<atom elementType="C" id="a8" x3="1.844377" y3="0.830429" z3="1.691684"/>
<atom elementType="H" id="a9" x3="2.899754" y3="1.125817" z3="1.546806"/>
<atom elementType="C" id="a10" x3="0.157598" y3="1.171256" z3="-1.841066"/>
<atom elementType="C" id="a11" x3="-0.926216" y3="0.36846" z3="-1.48795"/>
<atom elementType="C" id="a12" x3="-0.717037" y3="-0.962405" z3="-1.118303"/>
<atom elementType="C" id="a13" x3="1.449327" y3="0.645937" z3="-1.822296"/>
<atom elementType="C" id="a14" x3="1.659068" y3="-0.681631" z3="-1.450078"/>
<atom elementType="C" id="a15" x3="0.575493" y3="-1.487387" z3="-1.100327"/>
<atom elementType="H" id="a16" x3="-1.564373" y3="-1.600625" z3="-0.855568"/>
<atom elementType="H" id="a17" x3="0.73819" y3="-2.525842" z3="-0.802874"/>
<atom elementType="H" id="a18" x3="-0.003339" y3="2.214727" z3="-2.120625"/>
<atom elementType="H" id="a19" x3="-1.937607" y3="0.780881" z3="-1.486077"/>
<atom elementType="H" id="a20" x3="2.298026" y3="1.277184" z3="-2.097557"/>
<atom elementType="H" id="a21" x3="2.671528" y3="-1.092714" z3="-1.431718"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.456134" y3="0.18614" z3="1.906451"/>
<atom elementType="O" id="a2" x3="0.90151" y3="1.62852" z3="1.401731"/>
<atom elementType="O" id="a3" x3="1.535329" y3="-0.309627" z3="2.122778"/>
<atom elementType="O" id="a4" x3="-2.4503" y3="0.71401" z3="1.694459"/>
<atom elementType="O" id="a5" x3="-1.857574" y3="-1.242036" z3="2.41427"/>
<atom elementType="C" id="a6" x3="-2.773853" y3="-0.434457" z3="2.101431"/>
<atom elementType="H" id="a7" x3="-3.838214" y3="-0.728192" z3="2.174595"/>
<atom elementType="C" id="a8" x3="1.839836" y3="0.830758" z3="1.682056"/>
<atom elementType="H" id="a9" x3="2.894538" y3="1.129549" z3="1.54034"/>
<atom elementType="C" id="a10" x3="0.161164" y3="1.169469" z3="-1.839656"/>
<atom elementType="C" id="a11" x3="-0.923012" y3="0.363128" z3="-1.497165"/>
<atom elementType="C" id="a12" x3="-0.714137" y3="-0.96877" z3="-1.129203"/>
<atom elementType="C" id="a13" x3="1.453571" y3="0.646708" z3="-1.812393"/>
<atom elementType="C" id="a14" x3="1.663143" y3="-0.681869" z3="-1.444568"/>
<atom elementType="C" id="a15" x3="0.579104" y3="-1.49161" z3="-1.106131"/>
<atom elementType="H" id="a16" x3="-1.561914" y3="-1.607559" z3="-0.869984"/>
<atom elementType="H" id="a17" x3="0.743292" y3="-2.53143" z3="-0.814443"/>
<atom elementType="H" id="a18" x3="0.000017" y3="2.212348" z3="-2.121195"/>
<atom elementType="H" id="a19" x3="-1.935128" y3="0.773874" z3="-1.504217"/>
<atom elementType="H" id="a20" x3="2.303302" y3="1.281349" z3="-2.076549"/>
<atom elementType="H" id="a21" x3="2.676368" y3="-1.090808" z3="-1.421479"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4561,.1861,1.9065;.9015,1.6285,1.4017;1.5353,-.3096,2.1228;-2.4503,.714,1.6945;-1.8576,-1.242,2.4143;-2.7739,-.4345,2.1014;-3.8382,-.7282,2.1746;1.8398,.8308,1.6821;2.8945,1.1295,1.5403;.1612,1.1695,-1.8397;-.923,.3631,-1.4972;-.7141,-.9688,-1.1292;1.4536,.6467,-1.8124;1.6631,-.6819,-1.4446;.5791,-1.4916,-1.1061;-1.5619,-1.6076,-.87;.7433,-2.5314,-.8144;0,2.2123,-2.1212;-1.9351,.7739,-1.5042;2.3033,1.2813,-2.0765;2.6764,-1.0908,-1.4215;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.462464" y3="0.190311" z3="1.892201"/>
<atom elementType="O" id="a2" x3="0.896591" y3="1.636177" z3="1.413674"/>
<atom elementType="O" id="a3" x3="1.528105" y3="-0.320053" z3="2.082319"/>
<atom elementType="O" id="a4" x3="-2.457468" y3="0.726127" z3="1.717166"/>
<atom elementType="O" id="a5" x3="-1.856112" y3="-1.241809" z3="2.395476"/>
<atom elementType="C" id="a6" x3="-2.776807" y3="-0.427129" z3="2.114107"/>
<atom elementType="H" id="a7" x3="-3.839672" y3="-0.72117" z3="2.20477"/>
<atom elementType="C" id="a8" x3="1.834828" y3="0.829183" z3="1.667229"/>
<atom elementType="H" id="a9" x3="2.889929" y3="1.1276" z3="1.528734"/>
<atom elementType="C" id="a10" x3="0.163146" y3="1.167833" z3="-1.834741"/>
<atom elementType="C" id="a11" x3="-0.920717" y3="0.357582" z3="-1.502764"/>
<atom elementType="C" id="a12" x3="-0.710955" y3="-0.974816" z3="-1.136673"/>
<atom elementType="C" id="a13" x3="1.456915" y3="0.648274" z3="-1.800495"/>
<atom elementType="C" id="a14" x3="1.667173" y3="-0.681114" z3="-1.436505"/>
<atom elementType="C" id="a15" x3="0.583071" y3="-1.494653" z3="-1.107191"/>
<atom elementType="H" id="a16" x3="-1.558822" y3="-1.613411" z3="-0.877785"/>
<atom elementType="H" id="a17" x3="0.749251" y3="-2.535099" z3="-0.819088"/>
<atom elementType="H" id="a18" x3="0.000463" y3="2.210389" z3="-2.116593"/>
<atom elementType="H" id="a19" x3="-1.933495" y3="0.766647" z3="-1.517914"/>
<atom elementType="H" id="a20" x3="2.306798" y3="1.28648" z3="-2.055409"/>
<atom elementType="H" id="a21" x3="2.681151" y3="-1.087858" z3="-1.40939"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4625,.1903,1.8922;.8966,1.6362,1.4137;1.5281,-.3201,2.0823;-2.4575,.7261,1.7172;-1.8561,-1.2418,2.3955;-2.7768,-.4271,2.1141;-3.8397,-.7212,2.2048;1.8348,.8292,1.6672;2.8899,1.1276,1.5287;.1631,1.1678,-1.8347;-.9207,.3576,-1.5028;-.711,-.9748,-1.1367;1.4569,.6483,-1.8005;1.6672,-.6811,-1.4365;.5831,-1.4947,-1.1072;-1.5588,-1.6134,-.8778;.7493,-2.5351,-.8191;.0005,2.2104,-2.1166;-1.9335,.7666,-1.5179;2.3068,1.2865,-2.0554;2.6812,-1.0879,-1.4094;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.467089" y3="0.193925" z3="1.879643"/>
<atom elementType="O" id="a2" x3="0.896401" y3="1.642032" z3="1.421087"/>
<atom elementType="O" id="a3" x3="1.521204" y3="-0.327855" z3="2.054592"/>
<atom elementType="O" id="a4" x3="-2.459753" y3="0.733745" z3="1.727516"/>
<atom elementType="O" id="a5" x3="-1.854994" y3="-1.241873" z3="2.377461"/>
<atom elementType="C" id="a6" x3="-2.777828" y3="-0.422228" z3="2.117196"/>
<atom elementType="H" id="a7" x3="-3.839506" y3="-0.715708" z3="2.220861"/>
<atom elementType="C" id="a8" x3="1.831368" y3="0.82678" z3="1.656408"/>
<atom elementType="H" id="a9" x3="2.888027" y3="1.121234" z3="1.52141"/>
<atom elementType="C" id="a10" x3="0.16283" y3="1.166679" z3="-1.82994"/>
<atom elementType="C" id="a11" x3="-0.920168" y3="0.35365" z3="-1.503478"/>
<atom elementType="C" id="a12" x3="-0.708341" y3="-0.978563" z3="-1.138679"/>
<atom elementType="C" id="a13" x3="1.458108" y3="0.649848" z3="-1.793282"/>
<atom elementType="C" id="a14" x3="1.669953" y3="-0.679833" z3="-1.430984"/>
<atom elementType="C" id="a15" x3="0.586376" y3="-1.495607" z3="-1.104536"/>
<atom elementType="H" id="a16" x3="-1.555787" y3="-1.61696" z3="-0.877859"/>
<atom elementType="H" id="a17" x3="0.754218" y3="-2.535682" z3="-0.816215"/>
<atom elementType="H" id="a18" x3="-0.002181" y3="2.20934" z3="-2.110128"/>
<atom elementType="H" id="a19" x3="-1.933524" y3="0.761199" z3="-1.522664"/>
<atom elementType="H" id="a20" x3="2.30711" y3="1.290355" z3="-2.045231"/>
<atom elementType="H" id="a21" x3="2.684484" y3="-1.084984" z3="-1.402052"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4671,.1939,1.8796;.8964,1.642,1.4211;1.5212,-.3279,2.0546;-2.4598,.7337,1.7275;-1.855,-1.2419,2.3775;-2.7778,-.4222,2.1172;-3.8395,-.7157,2.2209;1.8314,.8268,1.6564;2.888,1.1212,1.5214;.1628,1.1667,-1.8299;-.9202,.3537,-1.5035;-.7083,-.9786,-1.1387;1.4581,.6498,-1.7933;1.67,-.6798,-1.431;.5864,-1.4956,-1.1045;-1.5558,-1.617,-.8779;.7542,-2.5357,-.8162;-.0022,2.2093,-2.1101;-1.9335,.7612,-1.5227;2.3071,1.2904,-2.0452;2.6845,-1.085,-1.4021;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.470511" y3="0.197052" z3="1.870401"/>
<atom elementType="O" id="a2" x3="0.899199" y3="1.647755" z3="1.426872"/>
<atom elementType="O" id="a3" x3="1.514906" y3="-0.333404" z3="2.036743"/>
<atom elementType="O" id="a4" x3="-2.45967" y3="0.739328" z3="1.733008"/>
<atom elementType="O" id="a5" x3="-1.854876" y3="-1.242869" z3="2.360253"/>
<atom elementType="C" id="a6" x3="-2.778264" y3="-0.418885" z3="2.115257"/>
<atom elementType="H" id="a7" x3="-3.839313" y3="-0.71052" z3="2.228223"/>
<atom elementType="C" id="a8" x3="1.828984" y3="0.824691" z3="1.649961"/>
<atom elementType="H" id="a9" x3="2.887672" y3="1.113323" z3="1.517336"/>
<atom elementType="C" id="a10" x3="0.16152" y3="1.165727" z3="-1.826067"/>
<atom elementType="C" id="a11" x3="-0.920511" y3="0.350593" z3="-1.501446"/>
<atom elementType="C" id="a12" x3="-0.706009" y3="-0.981174" z3="-1.137866"/>
<atom elementType="C" id="a13" x3="1.458102" y3="0.651119" z3="-1.790125"/>
<atom elementType="C" id="a14" x3="1.672071" y3="-0.678534" z3="-1.428274"/>
<atom elementType="C" id="a15" x3="0.589483" y3="-1.495611" z3="-1.100867"/>
<atom elementType="H" id="a16" x3="-1.552703" y3="-1.620243" z3="-0.875541"/>
<atom elementType="H" id="a17" x3="0.758505" y3="-2.534734" z3="-0.809923"/>
<atom elementType="H" id="a18" x3="-0.005833" y3="2.20894" z3="-2.102909"/>
<atom elementType="H" id="a19" x3="-1.934569" y3="0.756362" z3="-1.521772"/>
<atom elementType="H" id="a20" x3="2.305654" y3="1.292972" z3="-2.043384"/>
<atom elementType="H" id="a21" x3="2.687071" y3="-1.082395" z3="-1.398753"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4705,.1971,1.8704;.8992,1.6478,1.4269;1.5149,-.3334,2.0367;-2.4597,.7393,1.733;-1.8549,-1.2429,2.3603;-2.7783,-.4189,2.1153;-3.8393,-.7105,2.2282;1.829,.8247,1.65;2.8877,1.1133,1.5173;.1615,1.1657,-1.8261;-.9205,.3506,-1.5014;-.706,-.9812,-1.1379;1.4581,.6511,-1.7901;1.6721,-.6785,-1.4283;.5895,-1.4956,-1.1009;-1.5527,-1.6202,-.8755;.7585,-2.5347,-.8099;-.0058,2.2089,-2.1029;-1.9346,.7564,-1.5218;2.3057,1.293,-2.0434;2.6871,-1.0824,-1.3988;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.473141" y3="0.200001" z3="1.865398"/>
<atom elementType="O" id="a2" x3="0.903646" y3="1.654234" z3="1.433889"/>
<atom elementType="O" id="a3" x3="1.509067" y3="-0.336945" z3="2.026578"/>
<atom elementType="O" id="a4" x3="-2.458883" y3="0.744468" z3="1.738257"/>
<atom elementType="O" id="a5" x3="-1.856215" y3="-1.244531" z3="2.34439"/>
<atom elementType="C" id="a6" x3="-2.778972" y3="-0.416208" z3="2.111667"/>
<atom elementType="H" id="a7" x3="-3.840073" y3="-0.704781" z3="2.230666"/>
<atom elementType="C" id="a8" x3="1.82749" y3="0.823528" z3="1.64844"/>
<atom elementType="H" id="a9" x3="2.888148" y3="1.105729" z3="1.516355"/>
<atom elementType="C" id="a10" x3="0.15989" y3="1.164682" z3="-1.823768"/>
<atom elementType="C" id="a11" x3="-0.921059" y3="0.347785" z3="-1.498351"/>
<atom elementType="C" id="a12" x3="-0.703647" y3="-0.983577" z3="-1.136113"/>
<atom elementType="C" id="a13" x3="1.457368" y3="0.651864" z3="-1.790531"/>
<atom elementType="C" id="a14" x3="1.673855" y3="-0.677582" z3="-1.428658"/>
<atom elementType="C" id="a15" x3="0.592769" y3="-1.495617" z3="-1.098433"/>
<atom elementType="H" id="a16" x3="-1.549174" y3="-1.624426" z3="-0.873688"/>
<atom elementType="H" id="a17" x3="0.762662" y3="-2.533593" z3="-0.803979"/>
<atom elementType="H" id="a18" x3="-0.009407" y3="2.208703" z3="-2.096438"/>
<atom elementType="H" id="a19" x3="-1.935982" y3="0.751408" z3="-1.517756"/>
<atom elementType="H" id="a20" x3="2.303208" y3="1.294516" z3="-2.047372"/>
<atom elementType="H" id="a21" x3="2.689357" y3="-1.080163" z3="-1.399424"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4731,.2,1.8654;.9036,1.6542,1.4339;1.5091,-.3369,2.0266;-2.4589,.7445,1.7383;-1.8562,-1.2445,2.3444;-2.779,-.4162,2.1117;-3.8401,-.7048,2.2307;1.8275,.8235,1.6484;2.8881,1.1057,1.5164;.1599,1.1647,-1.8238;-.9211,.3478,-1.4984;-.7036,-.9836,-1.1361;1.4574,.6519,-1.7905;1.6739,-.6776,-1.4287;.5928,-1.4956,-1.0984;-1.5492,-1.6244,-.8737;.7627,-2.5336,-.804;-.0094,2.2087,-2.0964;-1.936,.7514,-1.5178;2.3032,1.2945,-2.0474;2.6894,-1.0802,-1.3994;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.474932" y3="0.202769" z3="1.865082"/>
<atom elementType="O" id="a2" x3="0.908139" y3="1.660874" z3="1.442947"/>
<atom elementType="O" id="a3" x3="1.504222" y3="-0.33835" z3="2.022604"/>
<atom elementType="O" id="a4" x3="-2.458305" y3="0.749545" z3="1.744793"/>
<atom elementType="O" id="a5" x3="-1.859018" y3="-1.246145" z3="2.331829"/>
<atom elementType="C" id="a6" x3="-2.780276" y3="-0.41374" z3="2.108662"/>
<atom elementType="H" id="a7" x3="-3.84207" y3="-0.698753" z3="2.2299"/>
<atom elementType="C" id="a8" x3="1.82697" y3="0.823583" z3="1.651295"/>
<atom elementType="H" id="a9" x3="2.888976" y3="1.100312" z3="1.517533"/>
<atom elementType="C" id="a10" x3="0.15838" y3="1.163456" z3="-1.823103"/>
<atom elementType="C" id="a11" x3="-0.921329" y3="0.345075" z3="-1.495373"/>
<atom elementType="C" id="a12" x3="-0.701347" y3="-0.986171" z3="-1.134542"/>
<atom elementType="C" id="a13" x3="1.45627" y3="0.651967" z3="-1.793359"/>
<atom elementType="C" id="a14" x3="1.675302" y3="-0.677252" z3="-1.431677"/>
<atom elementType="C" id="a15" x3="0.59603" y3="-1.4963" z3="-1.098629"/>
<atom elementType="H" id="a16" x3="-1.54541" y3="-1.629531" z3="-0.87325"/>
<atom elementType="H" id="a17" x3="0.766695" y3="-2.533402" z3="-0.801542"/>
<atom elementType="H" id="a18" x3="-0.01219" y3="2.208206" z3="-2.092179"/>
<atom elementType="H" id="a19" x3="-1.937102" y3="0.746616" z3="-1.512485"/>
<atom elementType="H" id="a20" x3="2.300537" y3="1.295233" z3="-2.053816"/>
<atom elementType="H" id="a21" x3="2.691367" y3="-1.078498" z3="-1.403562"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4749,.2028,1.8651;.9081,1.6609,1.4429;1.5042,-.3383,2.0226;-2.4583,.7495,1.7448;-1.859,-1.2461,2.3318;-2.7803,-.4137,2.1087;-3.8421,-.6988,2.2299;1.827,.8236,1.6513;2.889,1.1003,1.5175;.1584,1.1635,-1.8231;-.9213,.3451,-1.4954;-.7013,-.9862,-1.1345;1.4563,.652,-1.7934;1.6753,-.6773,-1.4317;.596,-1.4963,-1.0986;-1.5454,-1.6295,-.8732;.7667,-2.5334,-.8015;-.0122,2.2082,-2.0922;-1.9371,.7466,-1.5125;2.3005,1.2952,-2.0538;2.6914,-1.0785,-1.4036;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.476096" y3="0.205637" z3="1.867773"/>
<atom elementType="O" id="a2" x3="0.911713" y3="1.667276" z3="1.453953"/>
<atom elementType="O" id="a3" x3="1.500286" y3="-0.338337" z3="2.020734"/>
<atom elementType="O" id="a4" x3="-2.458159" y3="0.755159" z3="1.752923"/>
<atom elementType="O" id="a5" x3="-1.862914" y3="-1.247205" z3="2.321709"/>
<atom elementType="C" id="a6" x3="-2.782159" y3="-0.410856" z3="2.106769"/>
<atom elementType="H" id="a7" x3="-3.845036" y3="-0.69251" z3="2.227119"/>
<atom elementType="C" id="a8" x3="1.827186" y3="0.824569" z3="1.655933"/>
<atom elementType="H" id="a9" x3="2.889815" y3="1.097262" z3="1.518734"/>
<atom elementType="C" id="a10" x3="0.157011" y3="1.161968" z3="-1.822888"/>
<atom elementType="C" id="a11" x3="-0.921176" y3="0.342118" z3="-1.492612"/>
<atom elementType="C" id="a12" x3="-0.699063" y3="-0.989329" z3="-1.133328"/>
<atom elementType="C" id="a13" x3="1.455095" y3="0.651631" z3="-1.796602"/>
<atom elementType="C" id="a14" x3="1.676567" y3="-0.677486" z3="-1.43589"/>
<atom elementType="C" id="a15" x3="0.599218" y3="-1.497945" z3="-1.101137"/>
<atom elementType="H" id="a16" x3="-1.541468" y3="-1.635375" z3="-0.873488"/>
<atom elementType="H" id="a17" x3="0.770886" y3="-2.534681" z3="-0.803325"/>
<atom elementType="H" id="a18" x3="-0.014472" y3="2.207154" z3="-2.089646"/>
<atom elementType="H" id="a19" x3="-1.937666" y3="0.741968" z3="-1.506721"/>
<atom elementType="H" id="a20" x3="2.298074" y3="1.29575" z3="-2.059192"/>
<atom elementType="H" id="a21" x3="2.693266" y3="-1.077275" z3="-1.409689"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4761,.2056,1.8678;.9117,1.6673,1.454;1.5003,-.3383,2.0207;-2.4582,.7552,1.7529;-1.8629,-1.2472,2.3217;-2.7822,-.4109,2.1068;-3.845,-.6925,2.2271;1.8272,.8246,1.6559;2.8898,1.0973,1.5187;.157,1.162,-1.8229;-.9212,.3421,-1.4926;-.6991,-.9893,-1.1333;1.4551,.6516,-1.7966;1.6766,-.6775,-1.4359;.5992,-1.4979,-1.1011;-1.5415,-1.6354,-.8735;.7709,-2.5347,-.8033;-.0145,2.2072,-2.0896;-1.9377,.742,-1.5067;2.2981,1.2957,-2.0592;2.6933,-1.0773,-1.4097;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.476748" y3="0.208943" z3="1.871289"/>
<atom elementType="O" id="a2" x3="0.914523" y3="1.673122" z3="1.466362"/>
<atom elementType="O" id="a3" x3="1.496948" y3="-0.337811" z3="2.018156"/>
<atom elementType="O" id="a4" x3="-2.458158" y3="0.761622" z3="1.761378"/>
<atom elementType="O" id="a5" x3="-1.867399" y3="-1.247301" z3="2.312137"/>
<atom elementType="C" id="a6" x3="-2.784372" y3="-0.40708" z3="2.104913"/>
<atom elementType="H" id="a7" x3="-3.848432" y3="-0.686062" z3="2.222191"/>
<atom elementType="C" id="a8" x3="1.827999" y3="0.825938" z3="1.660509"/>
<atom elementType="H" id="a9" x3="2.890805" y3="1.0957" z3="1.519527"/>
<atom elementType="C" id="a10" x3="0.155366" y3="1.160156" z3="-1.821966"/>
<atom elementType="C" id="a11" x3="-0.920834" y3="0.338649" z3="-1.489366"/>
<atom elementType="C" id="a12" x3="-0.696694" y3="-0.993169" z3="-1.131806"/>
<atom elementType="C" id="a13" x3="1.453783" y3="0.651151" z3="-1.799132"/>
<atom elementType="C" id="a14" x3="1.677749" y3="-0.678057" z3="-1.440389"/>
<atom elementType="C" id="a15" x3="0.602386" y3="-1.500444" z3="-1.104839"/>
<atom elementType="H" id="a16" x3="-1.537258" y3="-1.641584" z3="-0.872432"/>
<atom elementType="H" id="a17" x3="0.775631" y3="-2.537322" z3="-0.808393"/>
<atom elementType="H" id="a18" x3="-0.017294" y3="2.205374" z3="-2.087758"/>
<atom elementType="H" id="a19" x3="-1.937855" y3="0.73732" z3="-1.49989"/>
<atom elementType="H" id="a20" x3="2.295606" y3="1.296597" z3="-2.062263"/>
<atom elementType="H" id="a21" x3="2.695157" y3="-1.07625" z3="-1.417101"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a6" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;3-1-4-7(1,3)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOCHCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s1s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4767,.2089,1.8713;.9145,1.6731,1.4664;1.4969,-.3378,2.0182;-2.4582,.7616,1.7614;-1.8674,-1.2473,2.3121;-2.7844,-.4071,2.1049;-3.8484,-.6861,2.2222;1.828,.8259,1.6605;2.8908,1.0957,1.5195;.1554,1.1602,-1.822;-.9208,.3386,-1.4894;-.6967,-.9932,-1.1318;1.4538,.6512,-1.7991;1.6777,-.6781,-1.4404;.6024,-1.5004,-1.1048;-1.5373,-1.6416,-.8724;.7756,-2.5373,-.8084;-.0173,2.2054,-2.0878;-1.9379,.7373,-1.4999;2.2956,1.2966,-2.0623;2.6952,-1.0762,-1.4171;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(1,2)(3,4,5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;7.6</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.477134" y3="0.213336" z3="1.873881"/>
<atom elementType="O" id="a2" x3="0.916935" y3="1.679239" z3="1.480861"/>
<atom elementType="O" id="a3" x3="1.493578" y3="-0.337799" z3="2.010917"/>
<atom elementType="O" id="a4" x3="-2.458037" y3="0.770483" z3="1.770995"/>
<atom elementType="O" id="a5" x3="-1.872599" y3="-1.246375" z3="2.299165"/>
<atom elementType="C" id="a6" x3="-2.786962" y3="-0.401441" z3="2.101717"/>
<atom elementType="H" id="a7" x3="-3.852162" y3="-0.67836" z3="2.214575"/>
<atom elementType="C" id="a8" x3="1.829068" y3="0.827436" z3="1.66315"/>
<atom elementType="H" id="a9" x3="2.891909" y3="1.094663" z3="1.518655"/>
<atom elementType="C" id="a10" x3="0.153039" y3="1.157763" z3="-1.818744"/>
<atom elementType="C" id="a11" x3="-0.920503" y3="0.333906" z3="-1.48434"/>
<atom elementType="C" id="a12" x3="-0.693805" y3="-0.998375" z3="-1.129242"/>
<atom elementType="C" id="a13" x3="1.452234" y3="0.65073" z3="-1.799872"/>
<atom elementType="C" id="a14" x3="1.679165" y3="-0.67883" z3="-1.444583"/>
<atom elementType="C" id="a15" x3="0.606087" y3="-1.503968" z3="-1.108852"/>
<atom elementType="H" id="a16" x3="-1.532201" y3="-1.648983" z3="-0.868917"/>
<atom elementType="H" id="a17" x3="0.781866" y3="-2.541413" z3="-0.815884"/>
<atom elementType="H" id="a18" x3="-0.021698" y3="2.202707" z3="-2.084182"/>
<atom elementType="H" id="a19" x3="-1.93799" y3="0.731603" z3="-1.490457"/>
<atom elementType="H" id="a20" x3="2.2927" y3="1.298258" z3="-2.062296"/>
<atom elementType="H" id="a21" x3="2.697419" y3="-1.075088" z3="-1.42542"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4771,.2133,1.8739;.9169,1.6792,1.4809;1.4936,-.3378,2.0109;-2.458,.7705,1.771;-1.8726,-1.2464,2.2992;-2.787,-.4014,2.1017;-3.8522,-.6784,2.2146;1.8291,.8274,1.6631;2.8919,1.0947,1.5187;.153,1.1578,-1.8187;-.9205,.3339,-1.4843;-.6938,-.9984,-1.1292;1.4522,.6507,-1.7999;1.6792,-.6788,-1.4446;.6061,-1.504,-1.1089;-1.5322,-1.649,-.8689;.7819,-2.5414,-.8159;-.0217,2.2027,-2.0842;-1.938,.7316,-1.4905;2.2927,1.2983,-2.0623;2.6974,-1.0751,-1.4254;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.476762" y3="0.219086" z3="1.874733"/>
<atom elementType="O" id="a2" x3="0.920682" y3="1.68521" z3="1.497282"/>
<atom elementType="O" id="a3" x3="1.490272" y3="-0.338485" z3="2.001554"/>
<atom elementType="O" id="a4" x3="-2.457047" y3="0.78138" z3="1.77831"/>
<atom elementType="O" id="a5" x3="-1.878231" y3="-1.243704" z3="2.281677"/>
<atom elementType="C" id="a6" x3="-2.789528" y3="-0.393699" z3="2.094185"/>
<atom elementType="H" id="a7" x3="-3.855789" y3="-0.669282" z3="2.200809"/>
<atom elementType="C" id="a8" x3="1.83099" y3="0.828637" z3="1.665908"/>
<atom elementType="H" id="a9" x3="2.89426" y3="1.093012" z3="1.520484"/>
<atom elementType="C" id="a10" x3="0.148984" y3="1.154672" z3="-1.813132"/>
<atom elementType="C" id="a11" x3="-0.920864" y3="0.327857" z3="-1.475916"/>
<atom elementType="C" id="a12" x3="-0.690278" y3="-1.004805" z3="-1.123996"/>
<atom elementType="C" id="a13" x3="1.449525" y3="0.650436" z3="-1.800367"/>
<atom elementType="C" id="a14" x3="1.680503" y3="-0.679665" z3="-1.449817"/>
<atom elementType="C" id="a15" x3="0.610465" y3="-1.508223" z3="-1.112464"/>
<atom elementType="H" id="a16" x3="-1.525874" y3="-1.657186" z3="-0.859658"/>
<atom elementType="H" id="a17" x3="0.79014" y3="-2.546437" z3="-0.824652"/>
<atom elementType="H" id="a18" x3="-0.029406" y3="2.199025" z3="-2.078437"/>
<atom elementType="H" id="a19" x3="-1.938776" y3="0.724634" z3="-1.475616"/>
<atom elementType="H" id="a20" x3="2.287906" y3="1.300679" z3="-2.062762"/>
<atom elementType="H" id="a21" x3="2.699736" y3="-1.073649" z3="-1.436997"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4768,.2191,1.8747;.9207,1.6852,1.4973;1.4903,-.3385,2.0016;-2.457,.7814,1.7783;-1.8782,-1.2437,2.2817;-2.7895,-.3937,2.0942;-3.8558,-.6693,2.2008;1.831,.8286,1.6659;2.8943,1.093,1.5205;.149,1.1547,-1.8131;-.9209,.3279,-1.4759;-.6903,-1.0048,-1.124;1.4495,.6504,-1.8004;1.6805,-.6797,-1.4498;.6105,-1.5082,-1.1125;-1.5259,-1.6572,-.8597;.7901,-2.5464,-.8247;-.0294,2.199,-2.0784;-1.9388,.7246,-1.4756;2.2879,1.3007,-2.0628;2.6997,-1.0736,-1.437;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.476144" y3="0.22608" z3="1.872261"/>
<atom elementType="O" id="a2" x3="0.924264" y3="1.69199" z3="1.51482"/>
<atom elementType="O" id="a3" x3="1.48718" y3="-0.341155" z3="1.983396"/>
<atom elementType="O" id="a4" x3="-2.455486" y3="0.796459" z3="1.787483"/>
<atom elementType="O" id="a5" x3="-1.884133" y3="-1.239801" z3="2.256118"/>
<atom elementType="C" id="a6" x3="-2.792112" y3="-0.383034" z3="2.083034"/>
<atom elementType="H" id="a7" x3="-3.859198" y3="-0.657793" z3="2.183236"/>
<atom elementType="C" id="a8" x3="1.832499" y3="0.829651" z3="1.664582"/>
<atom elementType="H" id="a9" x3="2.896454" y3="1.091361" z3="1.520048"/>
<atom elementType="C" id="a10" x3="0.143939" y3="1.150842" z3="-1.803098"/>
<atom elementType="C" id="a11" x3="-0.921705" y3="0.319826" z3="-1.46381"/>
<atom elementType="C" id="a12" x3="-0.685934" y3="-1.013224" z3="-1.116963"/>
<atom elementType="C" id="a13" x3="1.446325" y3="0.650371" z3="-1.797865"/>
<atom elementType="C" id="a14" x3="1.68219" y3="-0.680523" z3="-1.453982"/>
<atom elementType="C" id="a15" x3="0.615859" y3="-1.513433" z3="-1.114892"/>
<atom elementType="H" id="a16" x3="-1.518361" y3="-1.667525" z3="-0.847458"/>
<atom elementType="H" id="a17" x3="0.800595" y3="-2.552578" z3="-0.833809"/>
<atom elementType="H" id="a18" x3="-0.039474" y3="2.194748" z3="-2.066772"/>
<atom elementType="H" id="a19" x3="-1.940272" y3="0.715008" z3="-1.456195"/>
<atom elementType="H" id="a20" x3="2.281916" y3="1.304064" z3="-2.060543"/>
<atom elementType="H" id="a21" x3="2.702508" y3="-1.07184" z3="-1.448462"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4761,.2261,1.8723;.9243,1.692,1.5148;1.4872,-.3412,1.9834;-2.4555,.7965,1.7875;-1.8841,-1.2398,2.2561;-2.7921,-.383,2.083;-3.8592,-.6578,2.1832;1.8325,.8297,1.6646;2.8965,1.0914,1.52;.1439,1.1508,-1.8031;-.9217,.3198,-1.4638;-.6859,-1.0132,-1.117;1.4463,.6504,-1.7979;1.6822,-.6805,-1.454;.6159,-1.5134,-1.1149;-1.5184,-1.6675,-.8475;.8006,-2.5526,-.8338;-.0395,2.1947,-2.0668;-1.9403,.715,-1.4562;2.2819,1.3041,-2.0605;2.7025,-1.0718,-1.4485;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.473005" y3="0.233467" z3="1.869522"/>
<atom elementType="O" id="a2" x3="0.933098" y3="1.695774" z3="1.531738"/>
<atom elementType="O" id="a3" x3="1.48647" y3="-0.343099" z3="1.979309"/>
<atom elementType="O" id="a4" x3="-2.45143" y3="0.809186" z3="1.782741"/>
<atom elementType="O" id="a5" x3="-1.889119" y3="-1.232502" z3="2.231714"/>
<atom elementType="C" id="a6" x3="-2.793239" y3="-0.371715" z3="2.06204"/>
<atom elementType="H" id="a7" x3="-3.861204" y3="-0.646497" z3="2.151087"/>
<atom elementType="C" id="a8" x3="1.837199" y3="0.829612" z3="1.673479"/>
<atom elementType="H" id="a9" x3="2.903065" y3="1.087925" z3="1.537451"/>
<atom elementType="C" id="a10" x3="0.135178" y3="1.146628" z3="-1.793917"/>
<atom elementType="C" id="a11" x3="-0.9248" y3="0.312081" z3="-1.446659"/>
<atom elementType="C" id="a12" x3="-0.681634" y3="-1.020982" z3="-1.104655"/>
<atom elementType="C" id="a13" x3="1.439452" y3="0.650237" z3="-1.801943"/>
<atom elementType="C" id="a14" x3="1.682131" y3="-0.681249" z3="-1.464205"/>
<atom elementType="C" id="a15" x3="0.621118" y3="-1.518017" z3="-1.116715"/>
<atom elementType="H" id="a16" x3="-1.509787" y3="-1.675973" z3="-0.823812"/>
<atom elementType="H" id="a17" x3="0.812344" y3="-2.557683" z3="-0.84207"/>
<atom elementType="H" id="a18" x3="-0.055122" y3="2.189819" z3="-2.055656"/>
<atom elementType="H" id="a19" x3="-1.943857" y3="0.705504" z3="-1.427301"/>
<atom elementType="H" id="a20" x3="2.270633" y3="1.306977" z3="-2.070835"/>
<atom elementType="H" id="a21" x3="2.703419" y3="-1.070001" z3="-1.470185"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.473,.2335,1.8695;.9331,1.6958,1.5317;1.4865,-.3431,1.9793;-2.4514,.8092,1.7827;-1.8891,-1.2325,2.2317;-2.7932,-.3717,2.062;-3.8612,-.6465,2.1511;1.8372,.8296,1.6735;2.9031,1.0879,1.5375;.1352,1.1466,-1.7939;-.9248,.3121,-1.4467;-.6816,-1.021,-1.1047;1.4395,.6502,-1.8019;1.6821,-.6812,-1.4642;.6211,-1.518,-1.1167;-1.5098,-1.676,-.8238;.8123,-2.5577,-.8421;-.0551,2.1898,-2.0557;-1.9439,.7055,-1.4273;2.2706,1.307,-2.0708;2.7034,-1.07,-1.4702;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.472549" y3="0.240118" z3="1.863268"/>
<atom elementType="O" id="a2" x3="0.935376" y3="1.702694" z3="1.547412"/>
<atom elementType="O" id="a3" x3="1.485234" y3="-0.348378" z3="1.953759"/>
<atom elementType="O" id="a4" x3="-2.449257" y3="0.8283" z3="1.794873"/>
<atom elementType="O" id="a5" x3="-1.893761" y3="-1.227074" z3="2.199689"/>
<atom elementType="C" id="a6" x3="-2.795063" y3="-0.358221" z3="2.04867"/>
<atom elementType="H" id="a7" x3="-3.863597" y3="-0.63208" z3="2.13306"/>
<atom elementType="C" id="a8" x3="1.837256" y3="0.830197" z3="1.668843"/>
<atom elementType="H" id="a9" x3="2.90396" y3="1.087479" z3="1.53648"/>
<atom elementType="C" id="a10" x3="0.129925" y3="1.142365" z3="-1.780177"/>
<atom elementType="C" id="a11" x3="-0.92621" y3="0.3023" z3="-1.43221"/>
<atom elementType="C" id="a12" x3="-0.676869" y3="-1.031191" z3="-1.098232"/>
<atom elementType="C" id="a13" x3="1.435877" y3="0.650307" z3="-1.796767"/>
<atom elementType="C" id="a14" x3="1.683928" y3="-0.681979" z3="-1.467007"/>
<atom elementType="C" id="a15" x3="0.627296" y3="-1.523575" z3="-1.117882"/>
<atom elementType="H" id="a16" x3="-1.501782" y3="-1.688845" z3="-0.813741"/>
<atom elementType="H" id="a17" x3="0.823815" y3="-2.563868" z3="-0.849582"/>
<atom elementType="H" id="a18" x3="-0.065711" y3="2.186153" z3="-2.035656"/>
<atom elementType="H" id="a19" x3="-1.946623" y3="0.692013" z3="-1.406491"/>
<atom elementType="H" id="a20" x3="2.263435" y3="1.31066" z3="-2.067916"/>
<atom elementType="H" id="a21" x3="2.706228" y3="-1.067881" z3="-1.479265"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4725,.2401,1.8633;.9354,1.7027,1.5474;1.4852,-.3484,1.9538;-2.4493,.8283,1.7949;-1.8938,-1.2271,2.1997;-2.7951,-.3582,2.0487;-3.8636,-.6321,2.1331;1.8373,.8302,1.6688;2.904,1.0875,1.5365;.1299,1.1424,-1.7802;-.9262,.3023,-1.4322;-.6769,-1.0312,-1.0982;1.4359,.6503,-1.7968;1.6839,-.682,-1.467;.6273,-1.5236,-1.1179;-1.5018,-1.6888,-.8137;.8238,-2.5639,-.8496;-.0657,2.1862,-2.0357;-1.9466,.692,-1.4065;2.2634,1.3107,-2.0679;2.7062,-1.0679,-1.4793;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.470506" y3="0.240453" z3="1.863478"/>
<atom elementType="O" id="a2" x3="0.9388" y3="1.700889" z3="1.548279"/>
<atom elementType="O" id="a3" x3="1.489031" y3="-0.348769" z3="1.96329"/>
<atom elementType="O" id="a4" x3="-2.446727" y3="0.829827" z3="1.786714"/>
<atom elementType="O" id="a5" x3="-1.893843" y3="-1.223409" z3="2.198318"/>
<atom elementType="C" id="a6" x3="-2.79417" y3="-0.355219" z3="2.040008"/>
<atom elementType="H" id="a7" x3="-3.863034" y3="-0.628941" z3="2.119331"/>
<atom elementType="C" id="a8" x3="1.839863" y3="0.829519" z3="1.677393"/>
<atom elementType="H" id="a9" x3="2.907122" y3="1.087957" z3="1.550733"/>
<atom elementType="C" id="a10" x3="0.126521" y3="1.141593" z3="-1.779114"/>
<atom elementType="C" id="a11" x3="-0.928291" y3="0.300836" z3="-1.426807"/>
<atom elementType="C" id="a12" x3="-0.676532" y3="-1.03276" z3="-1.094909"/>
<atom elementType="C" id="a13" x3="1.432413" y3="0.650212" z3="-1.801441"/>
<atom elementType="C" id="a14" x3="1.682678" y3="-0.681969" z3="-1.472593"/>
<atom elementType="C" id="a15" x3="0.62809" y3="-1.524002" z3="-1.118721"/>
<atom elementType="H" id="a16" x3="-1.500163" y3="-1.690602" z3="-0.806929"/>
<atom elementType="H" id="a17" x3="0.826161" y3="-2.564065" z3="-0.85065"/>
<atom elementType="H" id="a18" x3="-0.070556" y3="2.185864" z3="-2.031545"/>
<atom elementType="H" id="a19" x3="-1.949148" y3="0.688951" z3="-1.397425"/>
<atom elementType="H" id="a20" x3="2.258135" y3="1.310655" z3="-2.077901"/>
<atom elementType="H" id="a21" x3="2.705064" y3="-1.067525" z3="-1.48838"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4705,.2405,1.8635;.9388,1.7009,1.5483;1.489,-.3488,1.9633;-2.4467,.8298,1.7867;-1.8938,-1.2234,2.1983;-2.7942,-.3552,2.04;-3.863,-.6289,2.1193;1.8399,.8295,1.6774;2.9071,1.088,1.5507;.1265,1.1416,-1.7791;-.9283,.3008,-1.4268;-.6765,-1.0328,-1.0949;1.4324,.6502,-1.8014;1.6827,-.682,-1.4726;.6281,-1.524,-1.1187;-1.5002,-1.6906,-.8069;.8262,-2.5641,-.8507;-.0706,2.1859,-2.0315;-1.9491,.689,-1.3974;2.2581,1.3107,-2.0779;2.7051,-1.0675,-1.4884;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.4689" y3="0.242483" z3="1.864534"/>
<atom elementType="O" id="a2" x3="0.943996" y3="1.701308" z3="1.556726"/>
<atom elementType="O" id="a3" x3="1.492599" y3="-0.350059" z3="1.972659"/>
<atom elementType="O" id="a4" x3="-2.442976" y3="0.837738" z3="1.78263"/>
<atom elementType="O" id="a5" x3="-1.895708" y3="-1.217128" z3="2.19031"/>
<atom elementType="C" id="a6" x3="-2.793965" y3="-0.347211" z3="2.029113"/>
<atom elementType="H" id="a7" x3="-3.863889" y3="-0.618834" z3="2.101565"/>
<atom elementType="C" id="a8" x3="1.843328" y3="0.828751" z3="1.691263"/>
<atom elementType="H" id="a9" x3="2.911138" y3="1.088457" z3="1.570709"/>
<atom elementType="C" id="a10" x3="0.120636" y3="1.139003" z3="-1.776652"/>
<atom elementType="C" id="a11" x3="-0.930711" y3="0.295682" z3="-1.418969"/>
<atom elementType="C" id="a12" x3="-0.674374" y3="-1.038284" z3="-1.091983"/>
<atom elementType="C" id="a13" x3="1.426767" y3="0.649999" z3="-1.808025"/>
<atom elementType="C" id="a14" x3="1.681954" y3="-0.682154" z3="-1.482079"/>
<atom elementType="C" id="a15" x3="0.631435" y3="-1.526555" z3="-1.122818"/>
<atom elementType="H" id="a16" x3="-1.495078" y3="-1.698224" z3="-0.800898"/>
<atom elementType="H" id="a17" x3="0.832459" y3="-2.566293" z3="-0.855592"/>
<atom elementType="H" id="a18" x3="-0.079151" y3="2.184269" z3="-2.022714"/>
<atom elementType="H" id="a19" x3="-1.952664" y3="0.68028" z3="-1.384177"/>
<atom elementType="H" id="a20" x3="2.249033" y3="1.312018" z3="-2.090972"/>
<atom elementType="H" id="a21" x3="2.704981" y3="-1.065752" z3="-1.503502"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.468117" y3="0.244556" z3="1.866274"/>
<atom elementType="O" id="a2" x3="0.947223" y3="1.702127" z3="1.565522"/>
<atom elementType="O" id="a3" x3="1.494557" y3="-0.350953" z3="1.977002"/>
<atom elementType="O" id="a4" x3="-2.439826" y3="0.845746" z3="1.782248"/>
<atom elementType="O" id="a5" x3="-1.898403" y3="-1.211867" z3="2.183499"/>
<atom elementType="C" id="a6" x3="-2.79437" y3="-0.33963" z3="2.022301"/>
<atom elementType="H" id="a7" x3="-3.865293" y3="-0.608781" z3="2.088578"/>
<atom elementType="C" id="a8" x3="1.846116" y3="0.828292" z3="1.700535"/>
<atom elementType="H" id="a9" x3="2.913922" y3="1.08908" z3="1.581995"/>
<atom elementType="C" id="a10" x3="0.115877" y3="1.136532" z3="-1.77379"/>
<atom elementType="C" id="a11" x3="-0.932235" y3="0.290341" z3="-1.413406"/>
<atom elementType="C" id="a12" x3="-0.672269" y3="-1.044036" z3="-1.090678"/>
<atom elementType="C" id="a13" x3="1.422625" y3="0.650004" z3="-1.811487"/>
<atom elementType="C" id="a14" x3="1.681899" y3="-0.682224" z3="-1.488835"/>
<atom elementType="C" id="a15" x3="0.634579" y3="-1.529507" z3="-1.127307"/>
<atom elementType="H" id="a16" x3="-1.490464" y3="-1.706496" z3="-0.798113"/>
<atom elementType="H" id="a17" x3="0.838248" y3="-2.569187" z3="-0.861821"/>
<atom elementType="H" id="a18" x3="-0.086232" y3="2.182401" z3="-2.015324"/>
<atom elementType="H" id="a19" x3="-1.954971" y3="0.672487" z3="-1.374451"/>
<atom elementType="H" id="a20" x3="2.242372" y3="1.314149" z3="-2.09678"/>
<atom elementType="H" id="a21" x3="2.705673" y3="-1.063541" z3="-1.514832"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4681,.2446,1.8663;.9472,1.7021,1.5655;1.4946,-.351,1.977;-2.4398,.8457,1.7822;-1.8984,-1.2119,2.1835;-2.7944,-.3396,2.0223;-3.8653,-.6088,2.0886;1.8461,.8283,1.7005;2.9139,1.0891,1.582;.1159,1.1365,-1.7738;-.9322,.2903,-1.4134;-.6723,-1.044,-1.0907;1.4226,.65,-1.8115;1.6819,-.6822,-1.4888;.6346,-1.5295,-1.1273;-1.4905,-1.7065,-.7981;.8382,-2.5692,-.8618;-.0862,2.1824,-2.0153;-1.955,.6725,-1.3745;2.2424,1.3141,-2.0968;2.7057,-1.0635,-1.5148;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.467648" y3="0.247417" z3="1.867341"/>
<atom elementType="O" id="a2" x3="0.950846" y3="1.703089" z3="1.575866"/>
<atom elementType="O" id="a3" x3="1.495482" y3="-0.352361" z3="1.978093"/>
<atom elementType="O" id="a4" x3="-2.436534" y3="0.855881" z3="1.783024"/>
<atom elementType="O" id="a5" x3="-1.902052" y3="-1.205567" z3="2.174847"/>
<atom elementType="C" id="a6" x3="-2.795261" y3="-0.33012" z3="2.016005"/>
<atom elementType="H" id="a7" x3="-3.867329" y3="-0.596297" z3="2.076518"/>
<atom elementType="C" id="a8" x3="1.849262" y3="0.827425" z3="1.708515"/>
<atom elementType="H" id="a9" x3="2.917084" y3="1.088743" z3="1.591741"/>
<atom elementType="C" id="a10" x3="0.110282" y3="1.133415" z3="-1.769636"/>
<atom elementType="C" id="a11" x3="-0.93381" y3="0.283366" z3="-1.407807"/>
<atom elementType="C" id="a12" x3="-0.669504" y3="-1.051335" z3="-1.089768"/>
<atom elementType="C" id="a13" x3="1.418217" y3="0.650397" z3="-1.813432"/>
<atom elementType="C" id="a14" x3="1.682251" y3="-0.681906" z3="-1.495128"/>
<atom elementType="C" id="a15" x3="0.638494" y3="-1.53314" z3="-1.132546"/>
<atom elementType="H" id="a16" x3="-1.484534" y3="-1.717025" z3="-0.796092"/>
<atom elementType="H" id="a17" x3="0.845554" y3="-2.572855" z3="-0.869822"/>
<atom elementType="H" id="a18" x3="-0.094982" y3="2.179607" z3="-2.007015"/>
<atom elementType="H" id="a19" x3="-1.957295" y3="0.663143" z3="-1.364442"/>
<atom elementType="H" id="a20" x3="2.235323" y3="1.317664" z3="-2.099013"/>
<atom elementType="H" id="a21" x3="2.707062" y3="-1.060049" z3="-1.526119"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4676,.2474,1.8673;.9508,1.7031,1.5759;1.4955,-.3524,1.9781;-2.4365,.8559,1.783;-1.9021,-1.2056,2.1748;-2.7953,-.3301,2.016;-3.8673,-.5963,2.0765;1.8493,.8274,1.7085;2.9171,1.0887,1.5917;.1103,1.1334,-1.7696;-.9338,.2834,-1.4078;-.6695,-1.0513,-1.0898;1.4182,.6504,-1.8134;1.6823,-.6819,-1.4951;.6385,-1.5331,-1.1325;-1.4845,-1.717,-.7961;.8456,-2.5729,-.8698;-.095,2.1796,-2.007;-1.9573,.6631,-1.3644;2.2353,1.3177,-2.099;2.7071,-1.06,-1.5261;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.467481" y3="0.24951" z3="1.867203"/>
<atom elementType="O" id="a2" x3="0.953675" y3="1.703096" z3="1.581963"/>
<atom elementType="O" id="a3" x3="1.495572" y3="-0.354008" z3="1.976644"/>
<atom elementType="O" id="a4" x3="-2.434042" y3="0.863629" z3="1.78302"/>
<atom elementType="O" id="a5" x3="-1.905248" y3="-1.200372" z3="2.169399"/>
<atom elementType="C" id="a6" x3="-2.796148" y3="-0.322337" z3="2.012568"/>
<atom elementType="H" id="a7" x3="-3.869013" y3="-0.585922" z3="2.070318"/>
<atom elementType="C" id="a8" x3="1.851657" y3="0.826029" z3="1.711874"/>
<atom elementType="H" id="a9" x3="2.919585" y3="1.087129" z3="1.596174"/>
<atom elementType="C" id="a10" x3="0.105943" y3="1.13109" z3="-1.765777"/>
<atom elementType="C" id="a11" x3="-0.935184" y3="0.277522" z3="-1.40459"/>
<atom elementType="C" id="a12" x3="-0.667371" y3="-1.057303" z3="-1.089957"/>
<atom elementType="C" id="a13" x3="1.415162" y3="0.651346" z3="-1.812875"/>
<atom elementType="C" id="a14" x3="1.682824" y3="-0.680955" z3="-1.498172"/>
<atom elementType="C" id="a15" x3="0.64164" y3="-1.535696" z3="-1.136253"/>
<atom elementType="H" id="a16" x3="-1.479974" y3="-1.725974" z3="-0.796461"/>
<atom elementType="H" id="a17" x3="0.851523" y3="-2.575446" z3="-0.875909"/>
<atom elementType="H" id="a18" x3="-0.102061" y3="2.177325" z3="-2.000533"/>
<atom elementType="H" id="a19" x3="-1.95923" y3="0.655575" z3="-1.358547"/>
<atom elementType="H" id="a20" x3="2.230481" y3="1.321482" z3="-2.096815"/>
<atom elementType="H" id="a21" x3="2.708597" y3="-1.056226" z3="-1.532147"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4675,.2495,1.8672;.9537,1.7031,1.582;1.4956,-.354,1.9766;-2.434,.8636,1.783;-1.9052,-1.2004,2.1694;-2.7961,-.3223,2.0126;-3.869,-.5859,2.0703;1.8517,.826,1.7119;2.9196,1.0871,1.5962;.1059,1.1311,-1.7658;-.9352,.2775,-1.4046;-.6674,-1.0573,-1.09;1.4152,.6513,-1.8129;1.6828,-.681,-1.4982;.6416,-1.5357,-1.1363;-1.48,-1.726,-.7965;.8515,-2.5754,-.8759;-.1021,2.1773,-2.0005;-1.9592,.6556,-1.3585;2.2305,1.3215,-2.0968;2.7086,-1.0562,-1.5321;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.467352" y3="0.252059" z3="1.86553"/>
<atom elementType="O" id="a2" x3="0.957992" y3="1.702333" z3="1.586769"/>
<atom elementType="O" id="a3" x3="1.494915" y3="-0.356949" z3="1.972749"/>
<atom elementType="O" id="a4" x3="-2.430952" y3="0.873344" z3="1.781826"/>
<atom elementType="O" id="a5" x3="-1.909625" y3="-1.193388" z3="2.163665"/>
<atom elementType="C" id="a6" x3="-2.797457" y3="-0.311923" z3="2.009422"/>
<atom elementType="H" id="a7" x3="-3.871276" y3="-0.571839" z3="2.066347"/>
<atom elementType="C" id="a8" x3="1.85459" y3="0.823152" z3="1.713141"/>
<atom elementType="H" id="a9" x3="2.923003" y3="1.082718" z3="1.599203"/>
<atom elementType="C" id="a10" x3="0.100278" y3="1.128276" z3="-1.760227"/>
<atom elementType="C" id="a11" x3="-0.937284" y3="0.269663" z3="-1.401655"/>
<atom elementType="C" id="a12" x3="-0.664598" y3="-1.065136" z3="-1.091169"/>
<atom elementType="C" id="a13" x3="1.411451" y3="0.653454" z3="-1.809982"/>
<atom elementType="C" id="a14" x3="1.68393" y3="-0.678792" z3="-1.499941"/>
<atom elementType="C" id="a15" x3="0.645962" y3="-1.538467" z3="-1.140274"/>
<atom elementType="H" id="a16" x3="-1.474134" y3="-1.738129" z3="-0.799302"/>
<atom elementType="H" id="a17" x3="0.859691" y3="-2.578193" z3="-0.882973"/>
<atom elementType="H" id="a18" x3="-0.11168" y3="2.174392" z3="-1.991948"/>
<atom elementType="H" id="a19" x3="-1.962197" y3="0.645183" z3="-1.353123"/>
<atom elementType="H" id="a20" x3="2.224541" y3="1.327686" z3="-2.090534"/>
<atom elementType="H" id="a21" x3="2.711114" y3="-1.049951" z3="-1.536395"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4674,.2521,1.8655;.958,1.7023,1.5868;1.4949,-.3569,1.9727;-2.431,.8733,1.7818;-1.9096,-1.1934,2.1637;-2.7975,-.3119,2.0094;-3.8713,-.5718,2.0663;1.8546,.8232,1.7131;2.923,1.0827,1.5992;.1003,1.1283,-1.7602;-.9373,.2697,-1.4017;-.6646,-1.0651,-1.0912;1.4115,.6535,-1.81;1.6839,-.6788,-1.4999;.646,-1.5385,-1.1403;-1.4741,-1.7381,-.7993;.8597,-2.5782,-.883;-.1117,2.1744,-1.9919;-1.9622,.6452,-1.3531;2.2245,1.3277,-2.0905;2.7111,-1.05,-1.5364;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.466703" y3="0.256572" z3="1.861371"/>
<atom elementType="O" id="a2" x3="0.966847" y3="1.70038" z3="1.592293"/>
<atom elementType="O" id="a3" x3="1.493395" y3="-0.36308" z3="1.965565"/>
<atom elementType="O" id="a4" x3="-2.425423" y3="0.890378" z3="1.777849"/>
<atom elementType="O" id="a5" x3="-1.917498" y3="-1.180518" z3="2.154401"/>
<atom elementType="C" id="a6" x3="-2.799736" y3="-0.292988" z3="2.003654"/>
<atom elementType="H" id="a7" x3="-3.875112" y3="-0.546149" z3="2.06108"/>
<atom elementType="C" id="a8" x3="1.859637" y3="0.816837" z3="1.713719"/>
<atom elementType="H" id="a9" x3="2.929418" y3="1.072238" z3="1.603851"/>
<atom elementType="C" id="a10" x3="0.089901" y3="1.123471" z3="-1.749965"/>
<atom elementType="C" id="a11" x3="-0.941473" y3="0.255562" z3="-1.396733"/>
<atom elementType="C" id="a12" x3="-0.659554" y3="-1.078995" z3="-1.093608"/>
<atom elementType="C" id="a13" x3="1.404575" y3="0.658068" z3="-1.803557"/>
<atom elementType="C" id="a14" x3="1.68609" y3="-0.674062" z3="-1.501707"/>
<atom elementType="C" id="a15" x3="0.654055" y3="-1.542838" z3="-1.146544"/>
<atom elementType="H" id="a16" x3="-1.463812" y3="-1.759872" z3="-0.805414"/>
<atom elementType="H" id="a17" x3="0.87495" y3="-2.582423" z3="-0.894745"/>
<atom elementType="H" id="a18" x3="-0.129594" y3="2.169253" z3="-1.976108"/>
<atom elementType="H" id="a19" x3="-1.968257" y3="0.625559" z3="-1.344394"/>
<atom elementType="H" id="a20" x3="2.213336" y3="1.33975" z3="-2.07849"/>
<atom elementType="H" id="a21" x3="2.71587" y3="-1.037651" z3="-1.541389"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4667,.2566,1.8614;.9668,1.7004,1.5923;1.4934,-.3631,1.9656;-2.4254,.8904,1.7778;-1.9175,-1.1805,2.1544;-2.7997,-.293,2.0037;-3.8751,-.5461,2.0611;1.8596,.8168,1.7137;2.9294,1.0722,1.6039;.0899,1.1235,-1.75;-.9415,.2556,-1.3967;-.6596,-1.079,-1.0936;1.4046,.6581,-1.8036;1.6861,-.6741,-1.5017;.6541,-1.5428,-1.1465;-1.4638,-1.7599,-.8054;.875,-2.5824,-.8947;-.1296,2.1693,-1.9761;-1.9683,.6256,-1.3444;2.2133,1.3397,-2.0785;2.7159,-1.0377,-1.5414;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.465441" y3="0.261585" z3="1.85592"/>
<atom elementType="O" id="a2" x3="0.97878" y3="1.696599" z3="1.593763"/>
<atom elementType="O" id="a3" x3="1.491217" y3="-0.371335" z3="1.958803"/>
<atom elementType="O" id="a4" x3="-2.418635" y3="0.909986" z3="1.770482"/>
<atom elementType="O" id="a5" x3="-1.927257" y3="-1.164407" z3="2.147764"/>
<atom elementType="C" id="a6" x3="-2.802464" y3="-0.269829" z3="1.998375"/>
<atom elementType="H" id="a7" x3="-3.879667" y3="-0.514127" z3="2.059115"/>
<atom elementType="C" id="a8" x3="1.865597" y3="0.807376" z3="1.712485"/>
<atom elementType="H" id="a9" x3="2.937431" y3="1.056077" z3="1.607402"/>
<atom elementType="C" id="a10" x3="0.077205" y3="1.118077" z3="-1.737967"/>
<atom elementType="C" id="a11" x3="-0.947023" y3="0.238443" z3="-1.392797"/>
<atom elementType="C" id="a12" x3="-0.653517" y3="-1.095559" z3="-1.098376"/>
<atom elementType="C" id="a13" x3="1.396139" y3="0.664912" z3="-1.793898"/>
<atom elementType="C" id="a14" x3="1.688959" y3="-0.666868" z3="-1.50155"/>
<atom elementType="C" id="a15" x3="0.664192" y3="-1.547132" z3="-1.153589"/>
<atom elementType="H" id="a16" x3="-1.45167" y3="-1.786313" z3="-0.81673"/>
<atom elementType="H" id="a17" x3="0.893944" y3="-2.586422" z3="-0.90857"/>
<atom elementType="H" id="a18" x3="-0.151681" y3="2.163295" z3="-1.957342"/>
<atom elementType="H" id="a19" x3="-1.976618" y3="0.600208" z3="-1.337611"/>
<atom elementType="H" id="a20" x3="2.199414" y3="1.355831" z3="-2.061669"/>
<atom elementType="H" id="a21" x3="2.722008" y3="-1.020903" z3="-1.542882"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4654,.2616,1.8559;.9788,1.6966,1.5938;1.4912,-.3713,1.9588;-2.4186,.91,1.7705;-1.9273,-1.1644,2.1478;-2.8025,-.2698,1.9984;-3.8797,-.5141,2.0591;1.8656,.8074,1.7125;2.9374,1.0561,1.6074;.0772,1.1181,-1.738;-.947,.2384,-1.3928;-.6535,-1.0956,-1.0984;1.3961,.6649,-1.7939;1.689,-.6669,-1.5015;.6642,-1.5471,-1.1536;-1.4517,-1.7863,-.8167;.8939,-2.5864,-.9086;-.1517,2.1633,-1.9573;-1.9766,.6002,-1.3376;2.1994,1.3558,-2.0617;2.722,-1.0209,-1.5429;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.46286" y3="0.26868" z3="1.849063"/>
<atom elementType="O" id="a2" x3="0.996138" y3="1.691402" z3="1.593321"/>
<atom elementType="O" id="a3" x3="1.487825" y3="-0.382689" z3="1.953137"/>
<atom elementType="O" id="a4" x3="-2.409402" y3="0.935873" z3="1.759405"/>
<atom elementType="O" id="a5" x3="-1.940047" y3="-1.142718" z3="2.140325"/>
<atom elementType="C" id="a6" x3="-2.805727" y3="-0.238904" z3="1.990656"/>
<atom elementType="H" id="a7" x3="-3.885249" y3="-0.471215" z3="2.056094"/>
<atom elementType="C" id="a8" x3="1.873253" y3="0.793619" z3="1.711486"/>
<atom elementType="H" id="a9" x3="2.948194" y3="1.031636" z3="1.612648"/>
<atom elementType="C" id="a10" x3="0.059905" y3="1.110998" z3="-1.722516"/>
<atom elementType="C" id="a11" x3="-0.954565" y3="0.21582" z3="-1.387556"/>
<atom elementType="C" id="a12" x3="-0.645162" y3="-1.117178" z3="-1.104882"/>
<atom elementType="C" id="a13" x3="1.384163" y3="0.674577" z3="-1.780931"/>
<atom elementType="C" id="a14" x3="1.692673" y3="-0.656519" z3="-1.500889"/>
<atom elementType="C" id="a15" x3="0.678112" y3="-1.552236" z3="-1.162581"/>
<atom elementType="H" id="a16" x3="-1.435455" y3="-1.820513" z3="-0.832004"/>
<atom elementType="H" id="a17" x3="0.919996" y3="-2.591028" z3="-0.927308"/>
<atom elementType="H" id="a18" x3="-0.181795" y3="2.155273" z3="-1.932512"/>
<atom elementType="H" id="a19" x3="-1.988411" y3="0.56478" z3="-1.329354"/>
<atom elementType="H" id="a20" x3="2.179369" y3="1.377668" z3="-2.040904"/>
<atom elementType="H" id="a21" x3="2.729954" y3="-0.997833" z3="-1.54357"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4629,.2687,1.8491;.9961,1.6914,1.5933;1.4878,-.3827,1.9531;-2.4094,.9359,1.7594;-1.94,-1.1427,2.1403;-2.8057,-.2389,1.9907;-3.8852,-.4712,2.0561;1.8733,.7936,1.7115;2.9482,1.0316,1.6126;.0599,1.111,-1.7225;-.9546,.2158,-1.3876;-.6452,-1.1172,-1.1049;1.3842,.6746,-1.7809;1.6927,-.6565,-1.5009;.6781,-1.5522,-1.1626;-1.4355,-1.8205,-.832;.92,-2.591,-.9273;-.1818,2.1553,-1.9325;-1.9884,.5648,-1.3294;2.1794,1.3777,-2.0409;2.73,-.9978,-1.5436;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.459274" y3="0.275545" z3="1.84437"/>
<atom elementType="O" id="a2" x3="1.014195" y3="1.684885" z3="1.588863"/>
<atom elementType="O" id="a3" x3="1.484591" y3="-0.393818" z3="1.955301"/>
<atom elementType="O" id="a4" x3="-2.40011" y3="0.960049" z3="1.746619"/>
<atom elementType="O" id="a5" x3="-1.952168" y3="-1.120939" z3="2.13899"/>
<atom elementType="C" id="a6" x3="-2.808373" y3="-0.208932" z3="1.9842"/>
<atom elementType="H" id="a7" x3="-3.890157" y3="-0.429176" z3="2.053661"/>
<atom elementType="C" id="a8" x3="1.880834" y3="0.778572" z3="1.712609"/>
<atom elementType="H" id="a9" x3="2.958845" y3="1.005156" z3="1.618693"/>
<atom elementType="C" id="a10" x3="0.042681" y3="1.104373" z3="-1.70935"/>
<atom elementType="C" id="a11" x3="-0.962104" y3="0.19402" z3="-1.384134"/>
<atom elementType="C" id="a12" x3="-0.637013" y3="-1.137651" z3="-1.112913"/>
<atom elementType="C" id="a13" x3="1.371771" y3="0.684603" z3="-1.768598"/>
<atom elementType="C" id="a14" x3="1.695972" y3="-0.645276" z3="-1.499815"/>
<atom elementType="C" id="a15" x3="0.691754" y3="-1.556185" z3="-1.171748"/>
<atom elementType="H" id="a16" x3="-1.420019" y3="-1.852481" z3="-0.849152"/>
<atom elementType="H" id="a17" x3="0.94575" y3="-2.594381" z3="-0.946849"/>
<atom elementType="H" id="a18" x3="-0.211402" y3="2.147543" z3="-1.910061"/>
<atom elementType="H" id="a19" x3="-2.000672" y3="0.528331" z3="-1.324909"/>
<atom elementType="H" id="a20" x3="2.158544" y3="1.399443" z3="-2.022054"/>
<atom elementType="H" id="a21" x3="2.737263" y3="-0.974189" z3="-1.542596"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4593,.2755,1.8444;1.0142,1.6849,1.5889;1.4846,-.3938,1.9553;-2.4001,.96,1.7466;-1.9522,-1.1209,2.139;-2.8084,-.2089,1.9842;-3.8902,-.4292,2.0537;1.8808,.7786,1.7126;2.9588,1.0052,1.6187;.0427,1.1044,-1.7093;-.9621,.194,-1.3841;-.637,-1.1377,-1.1129;1.3718,.6846,-1.7686;1.696,-.6453,-1.4998;.6918,-1.5562,-1.1717;-1.42,-1.8525,-.8492;.9457,-2.5944,-.9468;-.2114,2.1475,-1.9101;-2.0007,.5283,-1.3249;2.1585,1.3994,-2.0221;2.7373,-.9742,-1.5426;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.455153" y3="0.283244" z3="1.842051"/>
<atom elementType="O" id="a2" x3="1.031758" y3="1.679512" z3="1.588548"/>
<atom elementType="O" id="a3" x3="1.481417" y3="-0.403583" z3="1.962733"/>
<atom elementType="O" id="a4" x3="-2.390808" y3="0.984218" z3="1.736077"/>
<atom elementType="O" id="a5" x3="-1.962637" y3="-1.100248" z3="2.134716"/>
<atom elementType="C" id="a6" x3="-2.810009" y3="-0.180648" z3="1.974951"/>
<atom elementType="H" id="a7" x3="-3.893995" y3="-0.390357" z3="2.043232"/>
<atom elementType="C" id="a8" x3="1.888407" y3="0.764772" z3="1.719356"/>
<atom elementType="H" id="a9" x3="2.969077" y3="0.980849" z3="1.629851"/>
<atom elementType="C" id="a10" x3="0.025497" y3="1.097602" z3="-1.697777"/>
<atom elementType="C" id="a11" x3="-0.968804" y3="0.17353" z3="-1.378472"/>
<atom elementType="C" id="a12" x3="-0.628818" y3="-1.156807" z3="-1.118687"/>
<atom elementType="C" id="a13" x3="1.358727" y3="0.693063" z3="-1.760413"/>
<atom elementType="C" id="a14" x3="1.698222" y3="-0.635428" z3="-1.502314"/>
<atom elementType="C" id="a15" x3="0.704565" y3="-1.560389" z3="-1.181314"/>
<atom elementType="H" id="a16" x3="-1.404796" y3="-1.881185" z3="-0.860062"/>
<atom elementType="H" id="a17" x3="0.970433" y3="-2.597859" z3="-0.967015"/>
<atom elementType="H" id="a18" x3="-0.240268" y3="2.139625" z3="-1.889075"/>
<atom elementType="H" id="a19" x3="-2.011611" y3="0.493812" z3="-1.31716"/>
<atom elementType="H" id="a20" x3="2.13674" y3="1.418658" z3="-2.010321"/>
<atom elementType="H" id="a21" x3="2.742965" y3="-0.952886" z3="-1.547777"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4552,.2832,1.8421;1.0318,1.6795,1.5885;1.4814,-.4036,1.9627;-2.3908,.9842,1.7361;-1.9626,-1.1002,2.1347;-2.81,-.1806,1.975;-3.894,-.3904,2.0432;1.8884,.7648,1.7194;2.9691,.9808,1.6299;.0255,1.0976,-1.6978;-.9688,.1735,-1.3785;-.6288,-1.1568,-1.1187;1.3587,.6931,-1.7604;1.6982,-.6354,-1.5023;.7046,-1.5604,-1.1813;-1.4048,-1.8812,-.8601;.9704,-2.5979,-.967;-.2403,2.1396,-1.8891;-2.0116,.4938,-1.3172;2.1367,1.4187,-2.0103;2.743,-.9529,-1.5478;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.451693" y3="0.287204" z3="1.843434"/>
<atom elementType="O" id="a2" x3="1.043445" y3="1.672084" z3="1.580217"/>
<atom elementType="O" id="a3" x3="1.479616" y3="-0.40983" z3="1.978992"/>
<atom elementType="O" id="a4" x3="-2.384635" y3="0.997039" z3="1.726383"/>
<atom elementType="O" id="a5" x3="-1.968392" y3="-1.086237" z3="2.143713"/>
<atom elementType="C" id="a6" x3="-2.810218" y3="-0.163655" z3="1.973147"/>
<atom elementType="H" id="a7" x3="-3.895719" y3="-0.366514" z3="2.039613"/>
<atom elementType="C" id="a8" x3="1.894105" y3="0.753183" z3="1.725211"/>
<atom elementType="H" id="a9" x3="2.976215" y3="0.962305" z3="1.636042"/>
<atom elementType="C" id="a10" x3="0.014293" y3="1.094002" z3="-1.693962"/>
<atom elementType="C" id="a11" x3="-0.973651" y3="0.160972" z3="-1.379563"/>
<atom elementType="C" id="a12" x3="-0.624434" y3="-1.167926" z3="-1.12596"/>
<atom elementType="C" id="a13" x3="1.350268" y3="0.699387" z3="-1.755162"/>
<atom elementType="C" id="a14" x3="1.699201" y3="-0.627126" z3="-1.502024"/>
<atom elementType="C" id="a15" x3="0.712021" y3="-1.560943" z3="-1.187463"/>
<atom elementType="H" id="a16" x3="-1.396496" y3="-1.897598" z3="-0.871791"/>
<atom elementType="H" id="a17" x3="0.985778" y3="-2.597695" z3="-0.979739"/>
<atom elementType="H" id="a18" x3="-0.258337" y3="2.135141" z3="-1.880204"/>
<atom elementType="H" id="a19" x3="-2.019583" y3="0.470957" z3="-1.321019"/>
<atom elementType="H" id="a20" x3="2.122909" y3="1.43187" z3="-2.001636"/>
<atom elementType="H" id="a21" x3="2.746214" y3="-0.937127" z3="-1.547103"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4517,.2872,1.8434;1.0434,1.6721,1.5802;1.4796,-.4098,1.979;-2.3846,.997,1.7264;-1.9684,-1.0862,2.1437;-2.8102,-.1637,1.9731;-3.8957,-.3665,2.0396;1.8941,.7532,1.7252;2.9762,.9623,1.636;.0143,1.094,-1.694;-.9737,.161,-1.3796;-.6244,-1.1679,-1.126;1.3503,.6994,-1.7552;1.6992,-.6271,-1.502;.712,-1.5609,-1.1875;-1.3965,-1.8976,-.8718;.9858,-2.5977,-.9797;-.2583,2.1351,-1.8802;-2.0196,.471,-1.321;2.1229,1.4319,-2.0016;2.7462,-.9371,-1.5471;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.44758" y3="0.295707" z3="1.841724"/>
<atom elementType="O" id="a2" x3="1.060421" y3="1.666771" z3="1.584434"/>
<atom elementType="O" id="a3" x3="1.475761" y3="-0.418462" z3="1.989439"/>
<atom elementType="O" id="a4" x3="-2.374837" y3="1.021545" z3="1.717626"/>
<atom elementType="O" id="a5" x3="-1.976111" y3="-1.066663" z3="2.133048"/>
<atom elementType="C" id="a6" x3="-2.810092" y3="-0.137325" z3="1.959532"/>
<atom elementType="H" id="a7" x3="-3.897513" y3="-0.332324" z3="2.018025"/>
<atom elementType="C" id="a8" x3="1.902492" y3="0.740364" z3="1.736558"/>
<atom elementType="H" id="a9" x3="2.986664" y3="0.940243" z3="1.65204"/>
<atom elementType="C" id="a10" x3="-0.00355" y3="1.086973" z3="-1.682913"/>
<atom elementType="C" id="a11" x3="-0.979694" y3="0.141859" z3="-1.37067"/>
<atom elementType="C" id="a12" x3="-0.616597" y3="-1.185822" z3="-1.127762"/>
<atom elementType="C" id="a13" x3="1.336362" y3="0.706203" z3="-1.751278"/>
<atom elementType="C" id="a14" x3="1.699784" y3="-0.618701" z3="-1.508301"/>
<atom elementType="C" id="a15" x3="0.723362" y3="-1.565329" z3="-1.196359"/>
<atom elementType="H" id="a16" x3="-1.381169" y3="-1.923647" z3="-0.872846"/>
<atom elementType="H" id="a17" x3="1.008939" y3="-2.600694" z3="-0.997723"/>
<atom elementType="H" id="a18" x3="-0.28726" y3="2.126701" z3="-1.860136"/>
<atom elementType="H" id="a19" x3="-2.028537" y3="0.441273" z3="-1.307979"/>
<atom elementType="H" id="a20" x3="2.100356" y3="1.448502" z3="-1.995282"/>
<atom elementType="H" id="a21" x3="2.749706" y3="-0.917681" z3="-1.560048"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4476,.2957,1.8417;1.0604,1.6668,1.5844;1.4758,-.4185,1.9894;-2.3748,1.0215,1.7176;-1.9761,-1.0667,2.133;-2.8101,-.1373,1.9595;-3.8975,-.3323,2.018;1.9025,.7404,1.7366;2.9867,.9402,1.652;-.0036,1.087,-1.6829;-.9797,.1419,-1.3707;-.6166,-1.1858,-1.1278;1.3364,.7062,-1.7513;1.6998,-.6187,-1.5083;.7234,-1.5653,-1.1964;-1.3812,-1.9236,-.8728;1.0089,-2.6007,-.9977;-.2873,2.1267,-1.8601;-2.0285,.4413,-1.308;2.1004,1.4485,-1.9953;2.7497,-.9177,-1.56;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.447019" y3="0.295143" z3="1.84272"/>
<atom elementType="O" id="a2" x3="1.062296" y3="1.661591" z3="1.574549"/>
<atom elementType="O" id="a3" x3="1.474432" y3="-0.41975" z3="1.999809"/>
<atom elementType="O" id="a4" x3="-2.374536" y3="1.01994" z3="1.714511"/>
<atom elementType="O" id="a5" x3="-1.974408" y3="-1.065202" z3="2.143118"/>
<atom elementType="C" id="a6" x3="-2.808866" y3="-0.137739" z3="1.96333"/>
<atom elementType="H" id="a7" x3="-3.896337" y3="-0.333304" z3="2.021044"/>
<atom elementType="C" id="a8" x3="1.904032" y3="0.735793" z3="1.736595"/>
<atom elementType="H" id="a9" x3="2.988282" y3="0.933935" z3="1.650574"/>
<atom elementType="C" id="a10" x3="-0.004887" y3="1.087506" z3="-1.686351"/>
<atom elementType="C" id="a11" x3="-0.981008" y3="0.141725" z3="-1.375823"/>
<atom elementType="C" id="a12" x3="-0.617386" y3="-1.184871" z3="-1.130737"/>
<atom elementType="C" id="a13" x3="1.335759" y3="0.70792" z3="-1.75079"/>
<atom elementType="C" id="a14" x3="1.69937" y3="-0.615662" z3="-1.505352"/>
<atom elementType="C" id="a15" x3="0.722906" y3="-1.562475" z3="-1.194848"/>
<atom elementType="H" id="a16" x3="-1.381808" y3="-1.922457" z3="-0.876288"/>
<atom elementType="H" id="a17" x3="1.009571" y3="-2.597185" z3="-0.994376"/>
<atom elementType="H" id="a18" x3="-0.288879" y3="2.126845" z3="-1.865276"/>
<atom elementType="H" id="a19" x3="-2.030176" y3="0.440667" z3="-1.317967"/>
<atom elementType="H" id="a20" x3="2.099901" y3="1.450816" z3="-1.992444"/>
<atom elementType="H" id="a21" x3="2.749669" y3="-0.913742" z3="-1.554869"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.447,.2951,1.8427;1.0623,1.6616,1.5745;1.4744,-.4198,1.9998;-2.3745,1.0199,1.7145;-1.9744,-1.0652,2.1431;-2.8089,-.1377,1.9633;-3.8963,-.3333,2.021;1.904,.7358,1.7366;2.9883,.9339,1.6506;-.0049,1.0875,-1.6864;-.981,.1417,-1.3758;-.6174,-1.1849,-1.1307;1.3358,.7079,-1.7508;1.6994,-.6157,-1.5054;.7229,-1.5625,-1.1948;-1.3818,-1.9225,-.8763;1.0096,-2.5972,-.9944;-.2889,2.1268,-1.8653;-2.0302,.4407,-1.318;2.0999,1.4508,-1.9924;2.7497,-.9137,-1.5549;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.446296" y3="0.296278" z3="1.840733"/>
<atom elementType="O" id="a2" x3="1.066673" y3="1.657953" z3="1.570612"/>
<atom elementType="O" id="a3" x3="1.472869" y3="-0.422705" z3="2.00191"/>
<atom elementType="O" id="a4" x3="-2.372407" y3="1.024019" z3="1.710709"/>
<atom elementType="O" id="a5" x3="-1.974711" y3="-1.060718" z3="2.142597"/>
<atom elementType="C" id="a6" x3="-2.808095" y3="-0.13281" z3="1.9609"/>
<atom elementType="H" id="a7" x3="-3.895671" y3="-0.32774" z3="2.01712"/>
<atom elementType="C" id="a8" x3="1.90646" y3="0.731015" z3="1.735979"/>
<atom elementType="H" id="a9" x3="2.991258" y3="0.926232" z3="1.651178"/>
<atom elementType="C" id="a10" x3="-0.009101" y3="1.086506" z3="-1.684291"/>
<atom elementType="C" id="a11" x3="-0.983154" y3="0.13807" z3="-1.375447"/>
<atom elementType="C" id="a12" x3="-0.616475" y3="-1.187845" z3="-1.13078"/>
<atom elementType="C" id="a13" x3="1.332779" y3="0.710377" z3="-1.748862"/>
<atom elementType="C" id="a14" x3="1.699168" y3="-0.61255" z3="-1.5043"/>
<atom elementType="C" id="a15" x3="0.724772" y3="-1.561891" z3="-1.194412"/>
<atom elementType="H" id="a16" x3="-1.37875" y3="-1.927887" z3="-0.876343"/>
<atom elementType="H" id="a17" x3="1.014087" y3="-2.595749" z3="-0.993342"/>
<atom elementType="H" id="a18" x3="-0.295602" y3="2.12527" z3="-1.862613"/>
<atom elementType="H" id="a19" x3="-2.0327" y3="0.436084" z3="-1.318062"/>
<atom elementType="H" id="a20" x3="2.095548" y3="1.455414" z3="-1.988136"/>
<atom elementType="H" id="a21" x3="2.750256" y3="-0.90783" z3="-1.554021"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4463,.2963,1.8407;1.0667,1.658,1.5706;1.4729,-.4227,2.0019;-2.3724,1.024,1.7107;-1.9747,-1.0607,2.1426;-2.8081,-.1328,1.9609;-3.8957,-.3277,2.0171;1.9065,.731,1.736;2.9913,.9262,1.6512;-.0091,1.0865,-1.6843;-.9832,.1381,-1.3754;-.6165,-1.1878,-1.1308;1.3328,.7104,-1.7489;1.6992,-.6126,-1.5043;.7248,-1.5619,-1.1944;-1.3787,-1.9279,-.8763;1.0141,-2.5957,-.9933;-.2956,2.1253,-1.8626;-2.0327,.4361,-1.3181;2.0955,1.4554,-1.9881;2.7503,-.9078,-1.554;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.44586" y3="0.297146" z3="1.838366"/>
<atom elementType="O" id="a2" x3="1.070777" y3="1.655091" z3="1.567056"/>
<atom elementType="O" id="a3" x3="1.470886" y3="-0.425866" z3="2.001519"/>
<atom elementType="O" id="a4" x3="-2.371359" y3="1.027083" z3="1.708702"/>
<atom elementType="O" id="a5" x3="-1.97416" y3="-1.057465" z3="2.141427"/>
<atom elementType="C" id="a6" x3="-2.807409" y3="-0.129408" z3="1.959283"/>
<atom elementType="H" id="a7" x3="-3.894947" y3="-0.324655" z3="2.015182"/>
<atom elementType="C" id="a8" x3="1.908047" y3="0.726526" z3="1.734029"/>
<atom elementType="H" id="a9" x3="2.993506" y3="0.918404" z3="1.650569"/>
<atom elementType="C" id="a10" x3="-0.012246" y3="1.085934" z3="-1.683211"/>
<atom elementType="C" id="a11" x3="-0.984983" y3="0.135638" z3="-1.375801"/>
<atom elementType="C" id="a12" x3="-0.615796" y3="-1.189323" z3="-1.130251"/>
<atom elementType="C" id="a13" x3="1.330514" y3="0.712685" z3="-1.747139"/>
<atom elementType="C" id="a14" x3="1.699116" y3="-0.60975" z3="-1.502364"/>
<atom elementType="C" id="a15" x3="0.726234" y3="-1.560764" z3="-1.192742"/>
<atom elementType="H" id="a16" x3="-1.376161" y3="-1.931439" z3="-0.87616"/>
<atom elementType="H" id="a17" x3="1.017338" y3="-2.593784" z3="-0.989952"/>
<atom elementType="H" id="a18" x3="-0.30088" y3="2.124042" z3="-1.861997"/>
<atom elementType="H" id="a19" x3="-2.034832" y3="0.432984" z3="-1.31941"/>
<atom elementType="H" id="a20" x3="2.092267" y3="1.459273" z3="-1.984673"/>
<atom elementType="H" id="a21" x3="2.750861" y3="-0.902858" z3="-1.551303"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4459,.2971,1.8384;1.0708,1.6551,1.5671;1.4709,-.4259,2.0015;-2.3714,1.0271,1.7087;-1.9742,-1.0575,2.1414;-2.8074,-.1294,1.9593;-3.8949,-.3247,2.0152;1.908,.7265,1.734;2.9935,.9184,1.6506;-.0122,1.0859,-1.6832;-.985,.1356,-1.3758;-.6158,-1.1893,-1.1303;1.3305,.7127,-1.7471;1.6991,-.6098,-1.5024;.7262,-1.5608,-1.1927;-1.3762,-1.9314,-.8762;1.0173,-2.5938,-.99;-.3009,2.124,-1.862;-2.0348,.433,-1.3194;2.0923,1.4593,-1.9847;2.7509,-.9029,-1.5513;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.444844" y3="0.298365" z3="1.837134"/>
<atom elementType="O" id="a2" x3="1.075979" y3="1.651884" z3="1.564317"/>
<atom elementType="O" id="a3" x3="1.469316" y3="-0.429704" z3="2.002238"/>
<atom elementType="O" id="a4" x3="-2.369454" y3="1.03153" z3="1.706096"/>
<atom elementType="O" id="a5" x3="-1.974532" y3="-1.052672" z3="2.141184"/>
<atom elementType="C" id="a6" x3="-2.806871" y3="-0.12414" z3="1.956887"/>
<atom elementType="H" id="a7" x3="-3.894476" y3="-0.318965" z3="2.011153"/>
<atom elementType="C" id="a8" x3="1.910097" y3="0.721092" z3="1.732985"/>
<atom elementType="H" id="a9" x3="2.996293" y3="0.909087" z3="1.650074"/>
<atom elementType="C" id="a10" x3="-0.016465" y3="1.085059" z3="-1.681707"/>
<atom elementType="C" id="a11" x3="-0.987255" y3="0.131988" z3="-1.375808"/>
<atom elementType="C" id="a12" x3="-0.614607" y3="-1.191924" z3="-1.130047"/>
<atom elementType="C" id="a13" x3="1.327251" y3="0.715556" z3="-1.745044"/>
<atom elementType="C" id="a14" x3="1.699168" y3="-0.60624" z3="-1.50063"/>
<atom elementType="C" id="a15" x3="0.728598" y3="-1.55985" z3="-1.191858"/>
<atom elementType="H" id="a16" x3="-1.37277" y3="-1.936847" z3="-0.877017"/>
<atom elementType="H" id="a17" x3="1.022058" y3="-2.592047" z3="-0.988284"/>
<atom elementType="H" id="a18" x3="-0.30786" y3="2.122421" z3="-1.860442"/>
<atom elementType="H" id="a19" x3="-2.037801" y3="0.427104" z3="-1.320193"/>
<atom elementType="H" id="a20" x3="2.087328" y3="1.464279" z3="-1.981132"/>
<atom elementType="H" id="a21" x3="2.751754" y3="-0.896483" z3="-1.548778"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.443739" y3="0.299604" z3="1.837286"/>
<atom elementType="O" id="a2" x3="1.081614" y3="1.64893" z3="1.563539"/>
<atom elementType="O" id="a3" x3="1.467588" y3="-0.433941" z3="2.003199"/>
<atom elementType="O" id="a4" x3="-2.367926" y3="1.035803" z3="1.705261"/>
<atom elementType="O" id="a5" x3="-1.974552" y3="-1.048257" z3="2.141535"/>
<atom elementType="C" id="a6" x3="-2.806403" y3="-0.119435" z3="1.955077"/>
<atom elementType="H" id="a7" x3="-3.894116" y3="-0.314414" z3="2.006838"/>
<atom elementType="C" id="a8" x3="1.912013" y3="0.715272" z3="1.732839"/>
<atom elementType="H" id="a9" x3="2.998975" y3="0.898909" z3="1.64967"/>
<atom elementType="C" id="a10" x3="-0.020535" y3="1.084337" z3="-1.681893"/>
<atom elementType="C" id="a11" x3="-0.989394" y3="0.12885" z3="-1.376707"/>
<atom elementType="C" id="a12" x3="-0.613357" y3="-1.193676" z3="-1.129607"/>
<atom elementType="C" id="a13" x3="1.323962" y3="0.7184" z3="-1.743952"/>
<atom elementType="C" id="a14" x3="1.69927" y3="-0.602559" z3="-1.498845"/>
<atom elementType="C" id="a15" x3="0.730949" y3="-1.558418" z3="-1.190497"/>
<atom elementType="H" id="a16" x3="-1.369428" y3="-1.941009" z3="-0.877667"/>
<atom elementType="H" id="a17" x3="1.026397" y3="-2.589796" z3="-0.985669"/>
<atom elementType="H" id="a18" x3="-0.314636" y3="2.120766" z3="-1.861634"/>
<atom elementType="H" id="a19" x3="-2.040759" y3="0.421221" z3="-1.322363"/>
<atom elementType="H" id="a20" x3="2.082329" y3="1.469008" z3="-1.979487"/>
<atom elementType="H" id="a21" x3="2.752661" y3="-0.890103" z3="-1.545795"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.441858" y3="0.301802" z3="1.838542"/>
<atom elementType="O" id="a2" x3="1.089639" y3="1.644751" z3="1.564653"/>
<atom elementType="O" id="a3" x3="1.465951" y3="-0.439889" z3="2.005562"/>
<atom elementType="O" id="a4" x3="-2.364576" y3="1.043794" z3="1.70339"/>
<atom elementType="O" id="a5" x3="-1.976307" y3="-1.040557" z3="2.142017"/>
<atom elementType="C" id="a6" x3="-2.806096" y3="-0.110374" z3="1.951855"/>
<atom elementType="H" id="a7" x3="-3.894211" y3="-0.303989" z3="1.999159"/>
<atom elementType="C" id="a8" x3="1.915326" y3="0.707133" z3="1.734543"/>
<atom elementType="H" id="a9" x3="3.003189" y3="0.885356" z3="1.650674"/>
<atom elementType="C" id="a10" x3="-0.027385" y3="1.082582" z3="-1.681082"/>
<atom elementType="C" id="a11" x3="-0.992423" y3="0.122649" z3="-1.377054"/>
<atom elementType="C" id="a12" x3="-0.6109" y3="-1.198322" z3="-1.129968"/>
<atom elementType="C" id="a13" x3="1.318538" y3="0.722398" z3="-1.74211"/>
<atom elementType="C" id="a14" x3="1.699498" y3="-0.597166" z3="-1.49757"/>
<atom elementType="C" id="a15" x3="0.735153" y3="-1.557373" z3="-1.190567"/>
<atom elementType="H" id="a16" x3="-1.363916" y3="-1.949352" z3="-0.879671"/>
<atom elementType="H" id="a17" x3="1.034356" y3="-2.587746" z3="-0.986186"/>
<atom elementType="H" id="a18" x3="-0.325821" y3="2.117774" z3="-1.860831"/>
<atom elementType="H" id="a19" x3="-2.045241" y3="0.409849" z3="-1.323599"/>
<atom elementType="H" id="a20" x3="2.073852" y3="1.47637" z3="-1.976743"/>
<atom elementType="H" id="a21" x3="2.75414" y3="-0.880196" z3="-1.543884"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.440868" y3="0.302777" z3="1.840461"/>
<atom elementType="O" id="a2" x3="1.094172" y3="1.642455" z3="1.567703"/>
<atom elementType="O" id="a3" x3="1.465072" y3="-0.443596" z3="2.006722"/>
<atom elementType="O" id="a4" x3="-2.362888" y3="1.047797" z3="1.703787"/>
<atom elementType="O" id="a5" x3="-1.97729" y3="-1.037042" z3="2.142576"/>
<atom elementType="C" id="a6" x3="-2.806019" y3="-0.106055" z3="1.950777"/>
<atom elementType="H" id="a7" x3="-3.89441" y3="-0.299068" z3="1.995158"/>
<atom elementType="C" id="a8" x3="1.917248" y3="0.702353" z3="1.736448"/>
<atom elementType="H" id="a9" x3="3.005544" y3="0.877604" z3="1.651695"/>
<atom elementType="C" id="a10" x3="-0.031052" y3="1.081691" z3="-1.682484"/>
<atom elementType="C" id="a11" x3="-0.993869" y3="0.119745" z3="-1.378232"/>
<atom elementType="C" id="a12" x3="-0.609524" y3="-1.200158" z3="-1.130042"/>
<atom elementType="C" id="a13" x3="1.315662" y3="0.724446" z3="-1.742249"/>
<atom elementType="C" id="a14" x3="1.699615" y3="-0.593979" z3="-1.496839"/>
<atom elementType="C" id="a15" x3="0.737318" y3="-1.556216" z3="-1.189967"/>
<atom elementType="H" id="a16" x3="-1.361189" y3="-1.952497" z3="-0.880196"/>
<atom elementType="H" id="a17" x3="1.038496" y3="-2.585984" z3="-0.98542"/>
<atom elementType="H" id="a18" x3="-0.331765" y3="2.116027" z3="-1.8633"/>
<atom elementType="H" id="a19" x3="-2.04753" y3="0.403864" z3="-1.325642"/>
<atom elementType="H" id="a20" x3="2.069287" y3="1.48002" z3="-1.977207"/>
<atom elementType="H" id="a21" x3="2.754898" y3="-0.874692" z3="-1.542621"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4409,.3028,1.8405;1.0942,1.6425,1.5677;1.4651,-.4436,2.0067;-2.3629,1.0478,1.7038;-1.9773,-1.037,2.1426;-2.806,-.1061,1.9508;-3.8944,-.2991,1.9952;1.9172,.7024,1.7364;3.0055,.8776,1.6517;-.0311,1.0817,-1.6825;-.9939,.1197,-1.3782;-.6095,-1.2002,-1.13;1.3157,.7244,-1.7422;1.6996,-.594,-1.4968;.7373,-1.5562,-1.19;-1.3612,-1.9525,-.8802;1.0385,-2.586,-.9854;-.3318,2.116,-1.8633;-2.0475,.4039,-1.3256;2.0693,1.48,-1.9772;2.7549,-.8747,-1.5426;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.439859" y3="0.303273" z3="1.842639"/>
<atom elementType="O" id="a2" x3="1.098526" y3="1.639672" z3="1.571626"/>
<atom elementType="O" id="a3" x3="1.464644" y3="-0.447811" z3="2.007162"/>
<atom elementType="O" id="a4" x3="-2.360746" y3="1.051763" z3="1.704312"/>
<atom elementType="O" id="a5" x3="-1.978842" y3="-1.033914" z3="2.142823"/>
<atom elementType="C" id="a6" x3="-2.805959" y3="-0.101685" z3="1.949767"/>
<atom elementType="H" id="a7" x3="-3.894673" y3="-0.293495" z3="1.99127"/>
<atom elementType="C" id="a8" x3="1.91949" y3="0.697271" z3="1.738332"/>
<atom elementType="H" id="a9" x3="3.008112" y3="0.870039" z3="1.652654"/>
<atom elementType="C" id="a10" x3="-0.034912" y3="1.080808" z3="-1.684387"/>
<atom elementType="C" id="a11" x3="-0.995347" y3="0.116797" z3="-1.379725"/>
<atom elementType="C" id="a12" x3="-0.608177" y3="-1.202118" z3="-1.130192"/>
<atom elementType="C" id="a13" x3="1.312776" y3="0.726571" z3="-1.74256"/>
<atom elementType="C" id="a14" x3="1.699682" y3="-0.590462" z3="-1.495786"/>
<atom elementType="C" id="a15" x3="0.73947" y3="-1.554818" z3="-1.188863"/>
<atom elementType="H" id="a16" x3="-1.358754" y3="-1.955527" z3="-0.880459"/>
<atom elementType="H" id="a17" x3="1.043008" y3="-2.58384" z3="-0.984007"/>
<atom elementType="H" id="a18" x3="-0.337881" y3="2.114254" z3="-1.866446"/>
<atom elementType="H" id="a19" x3="-2.049895" y3="0.397725" z3="-1.328057"/>
<atom elementType="H" id="a20" x3="2.064616" y3="1.483762" z3="-1.978065"/>
<atom elementType="H" id="a21" x3="2.75563" y3="-0.868771" z3="-1.540911"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4399,.3033,1.8426;1.0985,1.6397,1.5716;1.4646,-.4478,2.0072;-2.3607,1.0518,1.7043;-1.9788,-1.0339,2.1428;-2.806,-.1017,1.9498;-3.8947,-.2935,1.9913;1.9195,.6973,1.7383;3.0081,.87,1.6527;-.0349,1.0808,-1.6844;-.9953,.1168,-1.3797;-.6082,-1.2021,-1.1302;1.3128,.7266,-1.7426;1.6997,-.5905,-1.4958;.7395,-1.5548,-1.1889;-1.3588,-1.9555,-.8805;1.043,-2.5838,-.984;-.3379,2.1143,-1.8664;-2.0499,.3977,-1.3281;2.0646,1.4838,-1.9781;2.7556,-.8688,-1.5409;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.439095" y3="0.302943" z3="1.843863"/>
<atom elementType="O" id="a2" x3="1.101898" y3="1.636901" z3="1.574697"/>
<atom elementType="O" id="a3" x3="1.46447" y3="-0.451592" z3="2.007059"/>
<atom elementType="O" id="a4" x3="-2.358978" y3="1.054137" z3="1.704784"/>
<atom elementType="O" id="a5" x3="-1.980019" y3="-1.032444" z3="2.142259"/>
<atom elementType="C" id="a6" x3="-2.805763" y3="-0.099023" z3="1.949157"/>
<atom elementType="H" id="a7" x3="-3.894771" y3="-0.289625" z3="1.989328"/>
<atom elementType="C" id="a8" x3="1.921442" y3="0.692983" z3="1.739819"/>
<atom elementType="H" id="a9" x3="3.010308" y3="0.864147" z3="1.654282"/>
<atom elementType="C" id="a10" x3="-0.037882" y3="1.080307" z3="-1.686895"/>
<atom elementType="C" id="a11" x3="-0.996556" y3="0.115047" z3="-1.38146"/>
<atom elementType="C" id="a12" x3="-0.607342" y3="-1.203011" z3="-1.130058"/>
<atom elementType="C" id="a13" x3="1.310617" y3="0.728291" z3="-1.743502"/>
<atom elementType="C" id="a14" x3="1.699589" y3="-0.587516" z3="-1.494623"/>
<atom elementType="C" id="a15" x3="0.740845" y3="-1.553223" z3="-1.186982"/>
<atom elementType="H" id="a16" x3="-1.357259" y3="-1.956798" z3="-0.879686"/>
<atom elementType="H" id="a17" x3="1.046424" y3="-2.581406" z3="-0.980927"/>
<atom elementType="H" id="a18" x3="-0.34248" y3="2.112994" z3="-1.870497"/>
<atom elementType="H" id="a19" x3="-2.051701" y3="0.393917" z3="-1.330779"/>
<atom elementType="H" id="a20" x3="2.061127" y3="1.486543" z3="-1.979843"/>
<atom elementType="H" id="a21" x3="2.756035" y3="-0.864079" z3="-1.53887"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4391,.3029,1.8439;1.1019,1.6369,1.5747;1.4645,-.4516,2.0071;-2.359,1.0541,1.7048;-1.98,-1.0324,2.1423;-2.8058,-.099,1.9492;-3.8948,-.2896,1.9893;1.9214,.693,1.7398;3.0103,.8641,1.6543;-.0379,1.0803,-1.6869;-.9966,.115,-1.3815;-.6073,-1.203,-1.1301;1.3106,.7283,-1.7435;1.6996,-.5875,-1.4946;.7408,-1.5532,-1.187;-1.3573,-1.9568,-.8797;1.0464,-2.5814,-.9809;-.3425,2.113,-1.8705;-2.0517,.3939,-1.3308;2.0611,1.4865,-1.9798;2.756,-.8641,-1.5389;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.43805" y3="0.301777" z3="1.844304"/>
<atom elementType="O" id="a2" x3="1.105854" y3="1.632801" z3="1.576732"/>
<atom elementType="O" id="a3" x3="1.464503" y3="-0.456611" z3="2.0066"/>
<atom elementType="O" id="a4" x3="-2.35644" y3="1.056507" z3="1.704727"/>
<atom elementType="O" id="a5" x3="-1.981511" y3="-1.031198" z3="2.141008"/>
<atom elementType="C" id="a6" x3="-2.805305" y3="-0.096067" z3="1.94839"/>
<atom elementType="H" id="a7" x3="-3.894672" y3="-0.284635" z3="1.988133"/>
<atom elementType="C" id="a8" x3="1.923886" y3="0.687409" z3="1.740835"/>
<atom elementType="H" id="a9" x3="3.013059" y3="0.856899" z3="1.656229"/>
<atom elementType="C" id="a10" x3="-0.041518" y3="1.079897" z3="-1.6900"/>
<atom elementType="C" id="a11" x3="-0.998276" y3="0.11311" z3="-1.383842"/>
<atom elementType="C" id="a12" x3="-0.606578" y3="-1.203835" z3="-1.129853"/>
<atom elementType="C" id="a13" x3="1.307991" y3="0.730685" z3="-1.744465"/>
<atom elementType="C" id="a14" x3="1.699362" y3="-0.583688" z3="-1.492558"/>
<atom elementType="C" id="a15" x3="0.742352" y3="-1.550992" z3="-1.183974"/>
<atom elementType="H" id="a16" x3="-1.355626" y3="-1.958232" z3="-0.878502"/>
<atom elementType="H" id="a17" x3="1.050609" y3="-2.577914" z3="-0.97563"/>
<atom elementType="H" id="a18" x3="-0.348062" y3="2.111658" z3="-1.875571"/>
<atom elementType="H" id="a19" x3="-2.05408" y3="0.389824" z3="-1.334665"/>
<atom elementType="H" id="a20" x3="2.056962" y3="1.49019" z3="-1.981628"/>
<atom elementType="H" id="a21" x3="2.756447" y3="-0.858091" z3="-1.535141"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.438,.3018,1.8443;1.1059,1.6328,1.5767;1.4645,-.4566,2.0066;-2.3564,1.0565,1.7047;-1.9815,-1.0312,2.141;-2.8053,-.0961,1.9484;-3.8947,-.2846,1.9881;1.9239,.6874,1.7408;3.0131,.8569,1.6562;-.0415,1.0799,-1.69;-.9983,.1131,-1.3838;-.6066,-1.2038,-1.1299;1.308,.7307,-1.7445;1.6994,-.5837,-1.4926;.7424,-1.551,-1.184;-1.3556,-1.9582,-.8785;1.0506,-2.5779,-.9756;-.3481,2.1117,-1.8756;-2.0541,.3898,-1.3347;2.057,1.4902,-1.9816;2.7564,-.8581,-1.5351;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.436585" y3="0.299754" z3="1.844065"/>
<atom elementType="O" id="a2" x3="1.110451" y3="1.627419" z3="1.578013"/>
<atom elementType="O" id="a3" x3="1.46474" y3="-0.462968" z3="2.006027"/>
<atom elementType="O" id="a4" x3="-2.352954" y3="1.058945" z3="1.704504"/>
<atom elementType="O" id="a5" x3="-1.983369" y3="-1.030179" z3="2.138594"/>
<atom elementType="C" id="a6" x3="-2.80457" y3="-0.092715" z3="1.947292"/>
<atom elementType="H" id="a7" x3="-3.894457" y3="-0.278218" z3="1.987361"/>
<atom elementType="C" id="a8" x3="1.926739" y3="0.680452" z3="1.741717"/>
<atom elementType="H" id="a9" x3="3.016284" y3="0.84816" z3="1.658733"/>
<atom elementType="C" id="a10" x3="-0.045918" y3="1.079526" z3="-1.693756"/>
<atom elementType="C" id="a11" x3="-1.000518" y3="0.110923" z3="-1.386749"/>
<atom elementType="C" id="a12" x3="-0.605766" y3="-1.204501" z3="-1.129348"/>
<atom elementType="C" id="a13" x3="1.3047" y3="0.733775" z3="-1.745641"/>
<atom elementType="C" id="a14" x3="1.698987" y3="-0.578996" z3="-1.489822"/>
<atom elementType="C" id="a15" x3="0.7441" y3="-1.548132" z3="-1.179963"/>
<atom elementType="H" id="a16" x3="-1.353412" y3="-1.959837" z3="-0.876501"/>
<atom elementType="H" id="a17" x3="1.055546" y3="-2.573387" z3="-0.968227"/>
<atom elementType="H" id="a18" x3="-0.354812" y3="2.110122" z3="-1.881936"/>
<atom elementType="H" id="a19" x3="-2.057039" y3="0.385345" z3="-1.33961"/>
<atom elementType="H" id="a20" x3="2.0519" y3="1.494753" z3="-1.983604"/>
<atom elementType="H" id="a21" x3="2.756863" y3="-0.850749" z3="-1.530021"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4366,.2998,1.8441;1.1105,1.6274,1.578;1.4647,-.463,2.006;-2.353,1.0589,1.7045;-1.9834,-1.0302,2.1386;-2.8046,-.0927,1.9473;-3.8945,-.2782,1.9874;1.9267,.6805,1.7417;3.0163,.8482,1.6587;-.0459,1.0795,-1.6938;-1.0005,.1109,-1.3867;-.6058,-1.2045,-1.1293;1.3047,.7338,-1.7456;1.699,-.579,-1.4898;.7441,-1.5481,-1.18;-1.3534,-1.9598,-.8765;1.0555,-2.5734,-.9682;-.3548,2.1101,-1.8819;-2.057,.3853,-1.3396;2.0519,1.4948,-1.9836;2.7569,-.8507,-1.53;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.434482" y3="0.296967" z3="1.843372"/>
<atom elementType="O" id="a2" x3="1.116217" y3="1.620464" z3="1.578922"/>
<atom elementType="O" id="a3" x3="1.46504" y3="-0.471113" z3="2.005811"/>
<atom elementType="O" id="a4" x3="-2.348117" y3="1.062133" z3="1.704293"/>
<atom elementType="O" id="a5" x3="-1.985758" y3="-1.028849" z3="2.13499"/>
<atom elementType="C" id="a6" x3="-2.803563" y3="-0.088222" z3="1.945662"/>
<atom elementType="H" id="a7" x3="-3.894153" y3="-0.269437" z3="1.986448"/>
<atom elementType="C" id="a8" x3="1.930105" y3="0.671485" z3="1.742942"/>
<atom elementType="H" id="a9" x3="3.020151" y3="0.836896" z3="1.662076"/>
<atom elementType="C" id="a10" x3="-0.051571" y3="1.079018" z3="-1.698263"/>
<atom elementType="C" id="a11" x3="-1.003496" y3="0.107993" z3="-1.390262"/>
<atom elementType="C" id="a12" x3="-0.604674" y3="-1.205274" z3="-1.128441"/>
<atom elementType="C" id="a13" x3="1.300307" y3="0.737835" z3="-1.747023"/>
<atom elementType="C" id="a14" x3="1.698524" y3="-0.5730" z3="-1.486532"/>
<atom elementType="C" id="a15" x3="0.746482" y3="-1.544484" z3="-1.17515"/>
<atom elementType="H" id="a16" x3="-1.350028" y3="-1.962295" z3="-0.873675"/>
<atom elementType="H" id="a17" x3="1.06169" y3="-2.567639" z3="-0.958958"/>
<atom elementType="H" id="a18" x3="-0.363595" y3="2.108046" z3="-1.889903"/>
<atom elementType="H" id="a19" x3="-2.060907" y3="0.379485" z3="-1.345835"/>
<atom elementType="H" id="a20" x3="2.045309" y3="1.500721" z3="-1.985665"/>
<atom elementType="H" id="a21" x3="2.757428" y3="-0.841233" z3="-1.523683"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4345,.297,1.8434;1.1162,1.6205,1.5789;1.465,-.4711,2.0058;-2.3481,1.0621,1.7043;-1.9858,-1.0288,2.135;-2.8036,-.0882,1.9457;-3.8942,-.2694,1.9864;1.9301,.6715,1.7429;3.0202,.8369,1.6621;-.0516,1.079,-1.6983;-1.0035,.108,-1.3903;-.6047,-1.2053,-1.1284;1.3003,.7378,-1.747;1.6985,-.573,-1.4865;.7465,-1.5445,-1.1751;-1.35,-1.9623,-.8737;1.0617,-2.5676,-.959;-.3636,2.108,-1.8899;-2.0609,.3795,-1.3458;2.0453,1.5007,-1.9857;2.7574,-.8412,-1.5237;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.432463" y3="0.294378" z3="1.842523"/>
<atom elementType="O" id="a2" x3="1.120949" y3="1.614523" z3="1.57933"/>
<atom elementType="O" id="a3" x3="1.465294" y3="-0.477986" z3="2.006363"/>
<atom elementType="O" id="a4" x3="-2.343556" y3="1.065007" z3="1.704311"/>
<atom elementType="O" id="a5" x3="-1.987865" y3="-1.027678" z3="2.131552"/>
<atom elementType="C" id="a6" x3="-2.802673" y3="-0.084134" z3="1.944151"/>
<atom elementType="H" id="a7" x3="-3.89389" y3="-0.261346" z3="1.98582"/>
<atom elementType="C" id="a8" x3="1.932668" y3="0.66387" z3="1.744413"/>
<atom elementType="H" id="a9" x3="3.023156" y3="0.827342" z3="1.665345"/>
<atom elementType="C" id="a10" x3="-0.056396" y3="1.078508" z3="-1.701923"/>
<atom elementType="C" id="a11" x3="-1.006092" y3="0.105332" z3="-1.393115"/>
<atom elementType="C" id="a12" x3="-0.603656" y3="-1.205884" z3="-1.127403"/>
<atom elementType="C" id="a13" x3="1.296419" y3="0.741346" z3="-1.748154"/>
<atom elementType="C" id="a14" x3="1.69818" y3="-0.567898" z3="-1.484112"/>
<atom elementType="C" id="a15" x3="0.748676" y3="-1.541367" z3="-1.17154"/>
<atom elementType="H" id="a16" x3="-1.346566" y3="-1.964822" z3="-0.871092"/>
<atom elementType="H" id="a17" x3="1.066633" y3="-2.562851" z3="-0.951564"/>
<atom elementType="H" id="a18" x3="-0.371236" y3="2.106095" z3="-1.896702"/>
<atom elementType="H" id="a19" x3="-2.064267" y3="0.374223" z3="-1.351136"/>
<atom elementType="H" id="a20" x3="2.039636" y3="1.505859" z3="-1.987063"/>
<atom elementType="H" id="a21" x3="2.757959" y3="-0.833024" z3="-1.518876"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4325,.2944,1.8425;1.1209,1.6145,1.5793;1.4653,-.478,2.0064;-2.3436,1.065,1.7043;-1.9879,-1.0277,2.1316;-2.8027,-.0841,1.9442;-3.8939,-.2613,1.9858;1.9327,.6639,1.7444;3.0232,.8273,1.6653;-.0564,1.0785,-1.7019;-1.0061,.1053,-1.3931;-.6037,-1.2059,-1.1274;1.2964,.7413,-1.7482;1.6982,-.5679,-1.4841;.7487,-1.5414,-1.1715;-1.3466,-1.9648,-.8711;1.0666,-2.5629,-.9516;-.3712,2.1061,-1.8967;-2.0643,.3742,-1.3511;2.0396,1.5059,-1.9871;2.758,-.833,-1.5189;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.429487" y3="0.291468" z3="1.842255"/>
<atom elementType="O" id="a2" x3="1.12832" y3="1.606301" z3="1.581478"/>
<atom elementType="O" id="a3" x3="1.465213" y3="-0.487793" z3="2.008135"/>
<atom elementType="O" id="a4" x3="-2.336902" y3="1.070422" z3="1.704592"/>
<atom elementType="O" id="a5" x3="-1.991005" y3="-1.02463" z3="2.127558"/>
<atom elementType="C" id="a6" x3="-2.801561" y3="-0.077005" z3="1.941794"/>
<atom elementType="H" id="a7" x3="-3.893609" y3="-0.248932" z3="1.983335"/>
<atom elementType="C" id="a8" x3="1.93636" y3="0.652706" z3="1.747631"/>
<atom elementType="H" id="a9" x3="3.027534" y3="0.812692" z3="1.67026"/>
<atom elementType="C" id="a10" x3="-0.063815" y3="1.077412" z3="-1.706882"/>
<atom elementType="C" id="a11" x3="-1.009784" y3="0.100722" z3="-1.396947"/>
<atom elementType="C" id="a12" x3="-0.601687" y3="-1.207473" z3="-1.125918"/>
<atom elementType="C" id="a13" x3="1.290429" y3="0.746425" z3="-1.749619"/>
<atom elementType="C" id="a14" x3="1.697901" y3="-0.560368" z3="-1.481352"/>
<atom elementType="C" id="a15" x3="0.752417" y3="-1.537092" z3="-1.167405"/>
<atom elementType="H" id="a16" x3="-1.340846" y3="-1.969546" z3="-0.868096"/>
<atom elementType="H" id="a17" x3="1.074118" y3="-2.556424" z3="-0.943014"/>
<atom elementType="H" id="a18" x3="-0.383189" y3="2.102773" z3="-1.906029"/>
<atom elementType="H" id="a19" x3="-2.069266" y3="0.364888" z3="-1.35831"/>
<atom elementType="H" id="a20" x3="2.030795" y3="1.513599" z3="-1.988862"/>
<atom elementType="H" id="a21" x3="2.758971" y3="-0.820651" z3="-1.513476"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4295,.2915,1.8423;1.1283,1.6063,1.5815;1.4652,-.4878,2.0081;-2.3369,1.0704,1.7046;-1.991,-1.0246,2.1276;-2.8016,-.077,1.9418;-3.8936,-.2489,1.9833;1.9364,.6527,1.7476;3.0275,.8127,1.6703;-.0638,1.0774,-1.7069;-1.0098,.1007,-1.3969;-.6017,-1.2075,-1.1259;1.2904,.7464,-1.7496;1.6979,-.5604,-1.4814;.7524,-1.5371,-1.1674;-1.3408,-1.9695,-.8681;1.0741,-2.5564,-.943;-.3832,2.1028,-1.906;-2.0693,.3649,-1.3583;2.0308,1.5136,-1.9889;2.759,-.8207,-1.5135;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.428678" y3="0.290883" z3="1.842474"/>
<atom elementType="O" id="a2" x3="1.130163" y3="1.604384" z3="1.582826"/>
<atom elementType="O" id="a3" x3="1.465047" y3="-0.490113" z3="2.009379"/>
<atom elementType="O" id="a4" x3="-2.33501" y3="1.072316" z3="1.704719"/>
<atom elementType="O" id="a5" x3="-1.991972" y3="-1.023338" z3="2.126984"/>
<atom elementType="C" id="a6" x3="-2.801357" y3="-0.074626" z3="1.941167"/>
<atom elementType="H" id="a7" x3="-3.89361" y3="-0.245309" z3="1.982238"/>
<atom elementType="C" id="a8" x3="1.937203" y3="0.649976" z3="1.749293"/>
<atom elementType="H" id="a9" x3="3.028551" y3="0.808951" z3="1.672048"/>
<atom elementType="C" id="a10" x3="-0.065818" y3="1.076943" z3="-1.707984"/>
<atom elementType="C" id="a11" x3="-1.010619" y3="0.099224" z3="-1.39772"/>
<atom elementType="C" id="a12" x3="-0.600929" y3="-1.208143" z3="-1.125403"/>
<atom elementType="C" id="a13" x3="1.288808" y3="0.747674" z3="-1.750021"/>
<atom elementType="C" id="a14" x3="1.697945" y3="-0.558443" z3="-1.481256"/>
<atom elementType="C" id="a15" x3="0.753616" y3="-1.536102" z3="-1.167032"/>
<atom elementType="H" id="a16" x3="-1.338983" y3="-1.971245" z3="-0.867649"/>
<atom elementType="H" id="a17" x3="1.075944" y3="-2.55513" z3="-0.942112"/>
<atom elementType="H" id="a18" x3="-0.386561" y3="2.101656" z3="-1.908224"/>
<atom elementType="H" id="a19" x3="-2.070531" y3="0.361729" z3="-1.359885"/>
<atom elementType="H" id="a20" x3="2.028365" y3="1.51561" z3="-1.989338"/>
<atom elementType="H" id="a21" x3="2.759334" y3="-0.817404" z3="-1.513377"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4287,.2909,1.8425;1.1302,1.6044,1.5828;1.465,-.4901,2.0094;-2.335,1.0723,1.7047;-1.992,-1.0233,2.127;-2.8014,-.0746,1.9412;-3.8936,-.2453,1.9822;1.9372,.65,1.7493;3.0286,.809,1.672;-.0658,1.0769,-1.708;-1.0106,.0992,-1.3977;-.6009,-1.2081,-1.1254;1.2888,.7477,-1.75;1.6979,-.5584,-1.4813;.7536,-1.5361,-1.167;-1.339,-1.9712,-.8676;1.0759,-2.5551,-.9421;-.3866,2.1017,-1.9082;-2.0705,.3617,-1.3599;2.0284,1.5156,-1.9893;2.7593,-.8174,-1.5134;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.428164" y3="0.290471" z3="1.84273"/>
<atom elementType="O" id="a2" x3="1.131229" y3="1.603194" z3="1.584457"/>
<atom elementType="O" id="a3" x3="1.464913" y3="-0.49149" z3="2.010671"/>
<atom elementType="O" id="a4" x3="-2.333616" y3="1.073811" z3="1.704554"/>
<atom elementType="O" id="a5" x3="-1.992814" y3="-1.022199" z3="2.127058"/>
<atom elementType="C" id="a6" x3="-2.801269" y3="-0.072721" z3="1.940754"/>
<atom elementType="H" id="a7" x3="-3.893658" y3="-0.242644" z3="1.981231"/>
<atom elementType="C" id="a8" x3="1.937766" y3="0.648346" z3="1.751037"/>
<atom elementType="H" id="a9" x3="3.029203" y3="0.806722" z3="1.673769"/>
<atom elementType="C" id="a10" x3="-0.067202" y3="1.076544" z3="-1.70861"/>
<atom elementType="C" id="a11" x3="-1.011052" y3="0.098107" z3="-1.398028"/>
<atom elementType="C" id="a12" x3="-0.600249" y3="-1.208771" z3="-1.124932"/>
<atom elementType="C" id="a13" x3="1.287736" y3="0.748417" z3="-1.750383"/>
<atom elementType="C" id="a14" x3="1.698049" y3="-0.557216" z3="-1.481621"/>
<atom elementType="C" id="a15" x3="0.754538" y3="-1.535549" z3="-1.167152"/>
<atom elementType="H" id="a16" x3="-1.337658" y3="-1.972583" z3="-0.867607"/>
<atom elementType="H" id="a17" x3="1.077136" y3="-2.554548" z3="-0.94241"/>
<atom elementType="H" id="a18" x3="-0.388948" y3="2.100811" z3="-1.909493"/>
<atom elementType="H" id="a19" x3="-2.071323" y3="0.359206" z3="-1.360634"/>
<atom elementType="H" id="a20" x3="2.026666" y3="1.516891" z3="-1.989926"/>
<atom elementType="H" id="a21" x3="2.759626" y3="-0.815306" z3="-1.514337"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.4282,.2905,1.8427;1.1312,1.6032,1.5845;1.4649,-.4915,2.0107;-2.3336,1.0738,1.7046;-1.9928,-1.0222,2.1271;-2.8013,-.0727,1.9408;-3.8937,-.2426,1.9812;1.9378,.6483,1.751;3.0292,.8067,1.6738;-.0672,1.0765,-1.7086;-1.0111,.0981,-1.398;-.6002,-1.2088,-1.1249;1.2877,.7484,-1.7504;1.698,-.5572,-1.4816;.7545,-1.5355,-1.1672;-1.3377,-1.9726,-.8676;1.0771,-2.5545,-.9424;-.3889,2.1008,-1.9095;-2.0713,.3592,-1.3606;2.0267,1.5169,-1.9899;2.7596,-.8153,-1.5143;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.352998677576</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.353204586961</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.353490145912</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.353754439441</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.354019316589</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.354284335875</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.354517454779</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.354693022619</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.354815106646</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.354904593345</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355004430593</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355082738357</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355145641099</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355226304970</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355316852265</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355396199892</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355447646709</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355485949834</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355516495232</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355539645255</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355558085693</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355574333278</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355591735653</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355610548323</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355632234888</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355647527414</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355663865856</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355680593746</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355693982301</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355698935631</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355701380178</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355703341185</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355706702790</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355710400782</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355716196192</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355723850438</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355732919979</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355737134626</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355744905180</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355741037280</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355750339729</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355752850562</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355754808099</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355754808187</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355755043667</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355752368304</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355751343798</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355750158706</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355749438643</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355748607291</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355747628882</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355746052488</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355744987472</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355741389878</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355740592607</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355739975468</scalar>
</module>
<module cmlx:templateRef="loewdin">
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="21">-0.134827 -0.087288 -0.085513 -0.099899 -0.088267 0.173386 0.025291 0.182213 0.026107 -0.019642 -0.013492 -0.024691 -0.025564 -0.033936 -0.021178 0.041062 0.039974 0.036616 0.041665 0.034032 0.033952</array>
</module>
<module cmlx:templateRef="mayer">
<module cmlx:templateRef="mayercharges">
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:double" dictRef="o:na" size="21">17.6773 8.3234 8.3313 8.3306 8.3320 5.5786 0.9433 5.5622 0.9437 6.0061 6.0082 6.0708 6.0141 6.0335 6.0145 0.9660 0.9688 0.9754 0.9634 0.9785 0.9782</array>
<array dataType="xsd:double" dictRef="o:za" size="21">18.0000 8.0000 8.0000 8.0000 8.0000 6.0000 1.0000 6.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
<array dataType="xsd:double" dictRef="o:qa" size="21">0.3227 -0.3234 -0.3313 -0.3306 -0.3320 0.4214 0.0567 0.4378 0.0563 -0.0061 -0.0082 -0.0708 -0.0141 -0.0335 -0.0145 0.0340 0.0312 0.0246 0.0366 0.0215 0.0218</array>
<array dataType="xsd:double" dictRef="o:va" size="21">2.6355 2.2306 2.2240 2.2183 2.2214 3.9104 0.9854 3.8902 0.9856 3.8719 3.8538 3.8815 3.8631 3.8628 3.8576 0.9820 0.9800 0.9811 0.9906 0.9810 0.9809</array>
<array dataType="xsd:double" dictRef="o:bva" size="21">2.6355 2.2306 2.2240 2.2183 2.2214 3.9104 0.9854 3.8902 0.9856 3.8719 3.8538 3.8815 3.8631 3.8628 3.8576 0.9820 0.9800 0.9811 0.9906 0.9810 0.9809</array>
<array dataType="xsd:double" dictRef="o:fa" size="21">-0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 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="22">0.6002 0.6390 0.5658 0.6300 1.4569 1.4186 1.4730 1.4206 0.9555 0.9559 1.4031 1.3929 0.9849 1.3817 0.9796 1.3923 0.9775 1.3963 0.9845 1.3919 0.9868 0.9838</array>
<matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="22">0 1 0 2 0 3 0 4 1 7 2 7 3 5 4 5 5 6 7 8 9 10 9 12 9 17 10 11 10 18 11 14 11 15 12 13 12 19 13 14 13 20 14 16</matrix>
</module>
</module>
<module cmlx:templateRef="mullikenpopulation">
<module cmlx:templateRef="atomiccharges">
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="21">0.322705 -0.323407 -0.331313 -0.330602 -0.332000 0.421403 0.056703 0.437830 0.056305 -0.006089 -0.008220 -0.070844 -0.014059 -0.033547 -0.014491 0.033960 0.031190 0.024573 0.036584 0.021549 0.021770</array>
</module>
</module>
<module cmlx:templateRef="orbitalenergies">
<list cmlx:templateRef="orbital">
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<matrix cols="3" dataType="xsd:double" dictRef="cc:displacement" rows="57">-0.000897 -0.000280 0.000746 0.004419 -0.001114 -0.015195 0.002435 -0.015515 0.001663 -0.002224 0.004482 -0.000810 -0.008581 -0.001150 0.002081 -0.007924 0.000763 0.012361 -0.003526 -0.007451 -0.032858 0.005583 -0.034141 0.007788 0.000258 -0.002227 0.001080 -0.009713 -0.002497 -0.005261 0.001467 -0.001763 -0.000227 -0.006731 -0.000153 0.005364 0.002334 -0.022487 -0.114201 0.004560 0.001110 0.000891 0.003175 -0.000252 -0.000928 0.122528 0.018360 -0.005089 -0.003077 0.028307 -0.005769 -0.000170 0.000155 0.000967 -0.000085 0.000403 0.000233 0.003306 0.021651 0.095355 0.000919 -0.000999 0.000185 -0.120289 -0.018307 0.005461 -0.000180 -0.000665 -0.004155 -0.001289 0.007283 -0.000151 0.000233 0.000263 0.005540 -0.000953 0.001612 -0.001512 0.000201 0.000857 0.002252 -0.000519 0.000372 -0.000282 -0.001542 0.000832 0.005707 -0.000265 0.000692 -0.000150 -0.002335 -0.001156 -0.004381 0.001169 0.000227 -0.000567 0.015924 0.004150 -0.004543 -0.005772 0.015068 -0.002559 0.002089 0.001272 0.000220 0.001571 0.001261 0.001342 -0.000497 0.000099 -0.001009 -0.004137 0.027074 -0.005466 -0.009364 0.057517 -0.011562 -0.000190 0.000129 0.000148 -0.002800 -0.002220 -0.000225 -0.104164 -0.015271 0.006513 0.001303 0.000935 0.003627 -0.017987 -0.005266 0.000787 -0.005889 0.021135 -0.004483 0.014981 -0.094177 0.018895 0.006766 -0.042454 0.008696 -0.000723 -0.000286 0.000620 0.000251 0.000055 0.000413 0.034607 0.004933 -0.003529 -0.026134 -0.004110 0.000178 0.002582 -0.001810 0.000127 -0.001009 0.001406 -0.000632 0.003263 0.001602 -0.000218 -0.015104 -0.001125 0.002879 0.001823 -0.013753 0.003300 0.001293 0.000754 0.001387</matrix>
</module>
</property>
</propertyList>
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.428009" y3="0.290126" z3="1.84264"/>
<atom elementType="O" id="a2" x3="1.131436" y3="1.602707" z3="1.585146"/>
<atom elementType="O" id="a3" x3="1.464977" y3="-0.49194" z3="2.011128"/>
<atom elementType="O" id="a4" x3="-2.333034" y3="1.074227" z3="1.704094"/>
<atom elementType="O" id="a5" x3="-1.993235" y3="-1.021855" z3="2.127196"/>
<atom elementType="C" id="a6" x3="-2.80122" y3="-0.072058" z3="1.940559"/>
<atom elementType="H" id="a7" x3="-3.893673" y3="-0.241628" z3="1.980865"/>
<atom elementType="C" id="a8" x3="1.938018" y3="0.64788" z3="1.751758"/>
<atom elementType="H" id="a9" x3="3.029456" y3="0.806238" z3="1.674624"/>
<atom elementType="C" id="a10" x3="-0.06768" y3="1.076431" z3="-1.708751"/>
<atom elementType="C" id="a11" x3="-1.011166" y3="0.097782" z3="-1.397975"/>
<atom elementType="C" id="a12" x3="-0.599994" y3="-1.208997" z3="-1.124673"/>
<atom elementType="C" id="a13" x3="1.287391" y3="0.748629" z3="-1.750575"/>
<atom elementType="C" id="a14" x3="1.698072" y3="-0.556835" z3="-1.481809"/>
<atom elementType="C" id="a15" x3="0.754836" y3="-1.535398" z3="-1.167139"/>
<atom elementType="H" id="a16" x3="-1.337316" y3="-1.972968" z3="-0.867599"/>
<atom elementType="H" id="a17" x3="1.0776" y3="-2.5544" z3="-0.942623"/>
<atom elementType="H" id="a18" x3="-0.389739" y3="2.100568" z3="-1.909782"/>
<atom elementType="H" id="a19" x3="-2.071565" y3="0.358381" z3="-1.360659"/>
<atom elementType="H" id="a20" x3="2.026058" y3="1.517274" z3="-1.990387"/>
<atom elementType="H" id="a21" x3="2.759696" y3="-0.814671" z3="-1.514913"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a4" order="S"/>
<bond atomRefs2="a1 a5" order="S"/>
<bond atomRefs2="a1 a8" order="S"/>
<bond atomRefs2="a1 a3" order="S"/>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a2 a8" order="S"/>
<bond atomRefs2="a3 a8" order="S"/>
<bond atomRefs2="a4 a6" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a14 a15" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a17" order="S"/>
</bondArray>
<formula concise="C8H8O4Pd">
<atomArray count="8 8 4 1" elementType="C H O Pd"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">266.50319999999994</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1/C6H6.2CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-6H;2*1H;/q;2*-2;+4/rC6H6.C2H2O4Pd/c1-2-4-6-5-3-1;1-3-7(4-1)2(5-7)6-7/h1-6H;1-2H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:10,11,13,12,14,15;8,2,3;6,4,5;1/E:(1,2,3,4,5,6);2*(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3;2*1.3,2-1,3-1;/rA:21nPdOOOOC3HCHC3C3C3C3C3C3HHHHHH/rB:s1;s1;s1;s1;s4s5;s6;s1s2s3;s8;;s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.428,.2901,1.8426;1.1314,1.6027,1.5851;1.465,-.4919,2.0111;-2.333,1.0742,1.7041;-1.9932,-1.0219,2.1272;-2.8012,-.0721,1.9406;-3.8937,-.2416,1.9809;1.938,.6479,1.7518;3.0295,.8062,1.6746;-.0677,1.0764,-1.7088;-1.0112,.0978,-1.398;-.6,-1.209,-1.1247;1.2874,.7486,-1.7506;1.6981,-.5568,-1.4818;.7548,-1.5354,-1.1671;-1.3373,-1.973,-.8676;1.0776,-2.5544,-.9426;-.3897,2.1006,-1.9098;-2.0716,.3584,-1.3607;2.0261,1.5173,-1.9904;2.7597,-.8147,-1.5149;/R:/0/N:10,11,13,12,14,15;6,8,4,5,2,3,1/E:(1,2,3,4,5,6);(3,4)(5,6)/CRV:1.3,2.3,3.3,4.3,5.3,6.3;1.3,7.5</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">-737.32973859</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">945.72017711</scalar>
<scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-1683.04991570</scalar>
<scalar dataType="xsd:double" dictRef="cc:oneelecener" units="nonsi:hartree">-2937.50037060</scalar>
<scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1254.45045489</scalar>
<scalar dataType="xsd:double" dictRef="cc:potentialEnergy" units="nonsi:hartree">-1389.59273692</scalar>
<scalar dataType="xsd:double" dictRef="cc:kineticenergy" units="nonsi:hartree">652.26299833</scalar>
<scalar dataType="xsd:double" dictRef="o:vircoeff">2.13041785</scalar>
<list id="dftcomponents">
<scalar dataType="xsd:double" dictRef="cc:alphae">52.999975725689</scalar>
<scalar dataType="xsd:double" dictRef="cc:betae">52.999975725689</scalar>
<scalar dataType="xsd:double" dictRef="cc:totale">105.999951451378</scalar>
<scalar dataType="xsd:double" dictRef="o:exchangeener" units="nonsi:hartree">-66.687055253648</scalar>
<scalar dataType="xsd:double" dictRef="o:correlationener" units="nonsi:hartree">-3.746982894573</scalar>
<scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-70.434038148221</scalar>
</list>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023260085</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023121671</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022950101</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022827887</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022777643</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022819405</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022944459</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023117094</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023295778</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023404960</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023446980</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023412313</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023363495</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023320993</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023316972</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023362159</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023418633</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023465406</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023487614</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023480311</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023455924</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023429727</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023415561</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023416607</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023449021</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023474826</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023534126</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023526147</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023500195</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023478162</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023460833</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023456131</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023461068</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023478774</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023503278</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023534326</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023549913</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023548674</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023527030</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023523568</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023515029</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023530069</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023548473</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023562002</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023567357</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023566294</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023557896</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023549190</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023544149</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023544344</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023549054</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023556636</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023562902</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023565193</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023562023</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023557429</scalar>
</module>
<module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="orbital">
<array dataType="xsd:integer" dictRef="cc:serial" size="239">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</array>
<array dataType="xsd:double" dictRef="cc:occup" size="239">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</array>
<array dataType="xsd:double" dictRef="cc:energy" size="239" units="nonsi:electronvolt">-523.9307 -523.9262 -523.9007 -523.8992 -282.5202 -282.4819 -278.7666 -278.7498 -278.7414 -278.7350 -278.7109 -278.7075 -96.7284 -60.9855 -60.6596 -59.5892 -31.3038 -31.1069 -28.1436 -28.0390 -23.8887 -20.8324 -20.8080 -17.5479 -17.2267 -16.8558 -16.8431 -14.8548 -14.7360 -14.4832 -14.4549 -13.8267 -13.5611 -13.2400 -12.8430 -12.7196 -11.9134 -11.8950 -11.1173 -10.6173 -10.5574 -10.1150 -9.7753 -9.7591 -9.6412 -9.3932 -9.1334 -9.0208 -8.4610 -7.9176 -7.8398 -7.3321 -7.1656 -3.1018 -0.5939 -0.3444 -0.2317 -0.0047 0.9285 1.5328 1.8471 1.8636 2.3521 2.9190 3.0364 3.3273 3.5247 4.0656 4.1923 4.2319 4.6419 5.1834 7.0439 7.2533 7.6156 7.9203 8.0235 8.1415 8.3148 8.5887 8.7868 10.4331 10.5415 11.3164 11.5758 11.6338 12.0214 12.8487 12.9743 13.2044 13.2465 13.5385 13.7766 14.2754 14.3807 14.7698 14.9935 15.1756 15.5747 15.6489 15.8738 15.9921 16.5567 16.7531 17.7682 17.9177 18.0974 18.3438 18.5073 18.7896 19.0101 19.2223 19.7537 20.2736 20.4656 20.6350 21.4057 21.4796 21.8393 21.9323 22.5340 23.1415 23.6324 24.0104 24.9501 27.2674 27.2763 27.8999 28.0094 29.1746 29.2141 29.3593 29.6025 30.6264 30.7879 31.4541 32.3705 34.0776 34.1361 34.4822 34.6271 35.0487 35.5050 35.7200 35.7922 36.1667 36.2906 36.7641 37.7824 37.8912 41.5327 42.5993 42.9918 43.6991 44.5472 44.7947 45.1179 45.7119 46.0986 46.9620 47.4280 47.7681 47.9328 48.0297 48.1936 48.1989 48.4359 48.5886 48.8250 49.1758 50.0605 50.1457 52.8873 53.6175 54.0512 54.1733 54.2023 54.5769 54.6476 54.8083 56.3893 56.6552 57.8768 58.6417 59.1494 60.1874 61.2241 62.7543 63.0137 63.1710 63.2991 63.3219 63.4909 63.7456 63.8552 64.0884 64.1270 64.3652 64.5399 64.6451 65.4572 65.7215 69.8603 70.5971 71.0769 71.2122 71.6934 71.8340 71.9600 72.3058 73.2353 73.4779 74.5782 74.6883 74.9004 75.0932 77.5511 78.3504 78.4016 79.0834 79.4736 81.3045 81.5623 81.7389 81.9970 84.3946 85.3242 85.3796 85.4857 85.5203 88.8561 94.6644 95.0212 95.9441 96.1815 97.9214 98.5649 100.2189 1404.1583</array>
</list>
</module>
<module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="atomiccharges">
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="21">0.318550 -0.329832 -0.330332 -0.330989 -0.331222 0.427647 0.056428 0.446702 0.053960 -0.008225 -0.038930 -0.034627 -0.024188 -0.040311 -0.003302 0.033582 0.028937 0.029926 0.030142 0.023688 0.022396</array>
</module>
</module>
<module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:double" dictRef="x:charge" size="21">-0.136284 -0.086533 -0.086910 -0.093055 -0.093212 0.176695 0.025456 0.182407 0.025254 -0.017992 -0.021085 -0.020775 -0.028573 -0.034521 -0.017991 0.040988 0.038699 0.039264 0.039246 0.035108 0.033813</array>
</module>
<module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="mayercharges">
<array dataType="xsd:integer" dictRef="cc:serial" size="21">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20</array>
<array dataType="xsd:string" dictRef="cc:elementType" size="21">Pd O O O O C H C H C C C C C C H H H H H H</array>
<array dataType="xsd:double" dictRef="o:na" size="21">17.6815 8.3298 8.3303 8.3310 8.3312 5.5724 0.9436 5.5533 0.9460 6.0082 6.0389 6.0346 6.0242 6.0403 6.0033 0.9664 0.9711 0.9701 0.9699 0.9763 0.9776</array>
<array dataType="xsd:double" dictRef="o:za" size="21">18.0000 8.0000 8.0000 8.0000 8.0000 6.0000 1.0000 6.0000 1.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
<array dataType="xsd:double" dictRef="o:qa" size="21">0.3185 -0.3298 -0.3303 -0.3310 -0.3312 0.4276 0.0564 0.4467 0.0540 -0.0082 -0.0389 -0.0346 -0.0242 -0.0403 -0.0033 0.0336 0.0289 0.0299 0.0301 0.0237 0.0224</array>
<array dataType="xsd:double" dictRef="o:va" size="21">2.6391 2.2260 2.2260 2.2193 2.2202 3.8962 0.9851 3.8862 0.9866 3.8726 3.8606 3.8615 3.8622 3.8615 3.8698 0.9838 0.9807 0.9803 0.9832 0.9814 0.9810</array>
<array dataType="xsd:double" dictRef="o:bva" size="21">2.6391 2.2260 2.2260 2.2193 2.2202 3.8962 0.9851 3.8862 0.9866 3.8726 3.8606 3.8615 3.8622 3.8615 3.8698 0.9838 0.9807 0.9803 0.9832 0.9814 0.9810</array>
<array dataType="xsd:double" dictRef="o:fa" size="21">-0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 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="22">0.6212 0.6206 0.6048 0.6062 1.4332 1.4331 1.4430 1.4431 0.9559 0.9564 1.4001 1.3948 0.9842 1.3751 0.9828 1.4014 0.9825 1.3912 0.9860 1.3929 0.9868 0.9845</array>
<matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="22">0 1 0 2 0 3 0 4 1 7 2 7 3 5 4 5 5 6 7 8 9 10 9 12 9 17 10 11 10 18 11 14 11 15 12 13 12 19 13 14 13 20 14 16</matrix>
</module>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023556312</scalar>
</module>
<module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.355739774588</scalar>
</module>
<module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
<array dataType="xsd:double" dictRef="cc:dipole" size="9">17.17967 -17.11727 0.06240 -11.63837 11.60239 -0.03597 -73.18751 72.95391 -0.23360</array>
<scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">0.24445</scalar>
<scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">0.62134</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">274.55</scalar>
</module>
<module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="contributions">
<scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-737.35573977</scalar>
<scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.15100363</scalar>
<scalar dataType="xsd:double" dictRef="o:thermalvibcorrection" units="nonsi:hartree">0.01078641</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">-737.19111719</scalar>
</module>
<module cmlx:templateRef="corrections">
<scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01361895</scalar>
<scalar dataType="xsd:double" dictRef="o:nonthermalcorr" units="nonsi:hartree">0.15100363</scalar>
<scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.16462258</scalar>
</module>
</module>
<module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-737.19111719</scalar>
<scalar dataType="xsd:double" dictRef="o:thermalcorrenthalpy" units="nonsi:hartree">0.00094421</scalar>
<scalar dataType="xsd:double" dictRef="o:totalenthalpy" units="nonsi:hartree">-737.19017298</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">0.02032823</scalar>
<scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01499238</scalar>
<scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02030161</scalar>
<scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.05562223</scalar>
</module>
<module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:totalenthalpy" units="nonsi:hartree">-737.19017298</scalar>
<scalar dataType="xsd:double" dictRef="o:totalentropycorr" units="nonsi:hartree">-0.05562223</scalar>
<scalar dataType="xsd:double" dictRef="o:gibbsenthalpy" units="nonsi:hartree">-737.24579522</scalar>
<scalar dataType="xsd:double" dictRef="o:gibbsminuselec" units="nonsi:hartree">0.10994456</scalar>
</module>
</module>
</module>
</module>
</module>
</module>
