<?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="-0.116699" y3="0.398653" z3="1.560863"/>
<atom elementType="O" id="a2" x3="1.602338" y3="1.514079" z3="1.423756"/>
<atom elementType="O" id="a3" x3="1.190277" y3="0.616396" z3="3.369114"/>
<atom elementType="O" id="a4" x3="-2.921136" y3="0.768763" z3="0.646471"/>
<atom elementType="O" id="a5" x3="-1.792878" y3="-0.671366" z3="1.943625"/>
<atom elementType="C" id="a6" x3="-2.837526" y3="-0.226548" z3="1.411132"/>
<atom elementType="H" id="a7" x3="-3.756667" y3="-0.821579" z3="1.57003"/>
<atom elementType="C" id="a8" x3="1.940557" y3="1.279765" z3="2.625399"/>
<atom elementType="H" id="a9" x3="2.917835" y3="1.671848" z3="2.983111"/>
<atom elementType="C" id="a10" x3="0.281007" y3="0.987171" z3="-1.22142"/>
<atom elementType="C" id="a11" x3="-0.588903" y3="0.139065" z3="-0.497448"/>
<atom elementType="C" id="a12" x3="-0.494675" y3="-1.25384" z3="-0.767462"/>
<atom elementType="C" id="a13" x3="1.209438" y3="0.482551" z3="-2.124655"/>
<atom elementType="C" id="a14" x3="1.294603" y3="-0.894198" z3="-2.344095"/>
<atom elementType="C" id="a15" x3="0.421099" y3="-1.7616" z3="-1.686116"/>
<atom elementType="H" id="a16" x3="-1.126143" y3="-1.966042" z3="-0.227996"/>
<atom elementType="H" id="a17" x3="0.482518" y3="-2.839658" z3="-1.858761"/>
<atom elementType="H" id="a18" x3="0.276958" y3="2.059689" z3="-1.015229"/>
<atom elementType="H" id="a19" x3="-1.915908" y3="0.620242" z3="-0.137018"/>
<atom elementType="H" id="a20" x3="1.898806" y3="1.163128" z3="-2.628581"/>
<atom elementType="H" id="a21" x3="2.061859" y3="-1.294698" z3="-3.013846"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C6H5.CH2O2.CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-5H;1-2H;1H;/q;-1;-2;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-7,9H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,11;6,4,5;8,2,3;1/E:(2,3)(4,5);;(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.2;1.3,3-1;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3C3C3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4;s13;s14;/rC:-.1167,.3987,1.5609;1.6023,1.5141,1.4238;1.1903,.6164,3.3691;-2.9211,.7688,.6465;-1.7929,-.6714,1.9436;-2.8375,-.2265,1.4111;-3.7567,-.8216,1.57;1.9406,1.2798,2.6254;2.9178,1.6718,2.9831;.281,.9872,-1.2214;-.5889,.1391,-.4974;-.4947,-1.2538,-.7675;1.2094,.4826,-2.1247;1.2946,-.8942,-2.3441;.4211,-1.7616,-1.6861;-1.1261,-1.966,-.228;.4825,-2.8397,-1.8588;.277,2.0597,-1.0152;-1.9159,.6202,-.137;1.8988,1.1631,-2.6286;2.0619,-1.2947,-3.0138;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
</formula>
</molecule>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
<module cmlx:templateRef="section" name="Hamiltonian">
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">PBE kappa parameter   XKappa</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.804000</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">XMuePBE</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.219520</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">PBE</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">PBE beta parameter  CBetaPBE</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.066725</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">LDAOpt</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">PW91-LDA</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">PostSCFGGA</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
</list>
<scalar dataType="xsd:string" dictRef="o:comment">Hybrid DFT is turned on</scalar>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">ScalHFX</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.250000</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.750000</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFC</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">ScalLDAC</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">1.000000</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Perturbative correction</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.000000</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">OFF</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">NL short-range parameter</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">6.900000</scalar>
</list>
<scalar dataType="xsd:string" dictRef="o:comment">RI-approximation to the Coulomb term is turned on</scalar>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">functions</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">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">TS_ts_guess_Pd_benzene_CH_ieip_optts_orca</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">937.0988332934 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">250</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">2.924e-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">0.013 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">TS_ts_guess_Pd_benzene_CH_ieip_optts_orca</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">930.9276657988 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">250</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">2.828e-04</scalar>
</list>
<list>
<scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
<scalar dataType="xsd:string" dictRef="cc:value">0.007 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">0.012 sec</scalar>
</list>
</module>
</module>
<module cmlx:templateRef="input" id="initialization">
<module cmlx:templateRef="job">
<molecule id="initial">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.1166988" y3="0.3986528" z3="1.56086264">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">46</scalar>
</atom>
<atom elementType="O" id="a2" x3="1.60233805" y3="1.51407908" z3="1.42375604">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
</atom>
<atom elementType="O" id="a3" x3="1.19027656" y3="0.61639566" z3="3.36911361">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
</atom>
<atom elementType="O" id="a4" x3="-2.92113591" y3="0.76876261" z3="0.64647089">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
</atom>
<atom elementType="O" id="a5" x3="-1.79287833" y3="-0.671366" z3="1.94362488">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
</atom>
<atom elementType="C" id="a6" x3="-2.83752593" y3="-0.22654783" z3="1.41113169">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="H" id="a7" x3="-3.75666729" y3="-0.82157922" z3="1.57003029">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="C" id="a8" x3="1.94055742" y3="1.27976502" z3="2.62539949">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="H" id="a9" x3="2.91783505" y3="1.67184846" z3="2.98311093">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="C" id="a10" x3="0.28100725" y3="0.98717132" z3="-1.22142036">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="C" id="a11" x3="-0.58890304" y3="0.13906499" z3="-0.4974478">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="C" id="a12" x3="-0.4946754" y3="-1.2538402" z3="-0.76746203">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="C" id="a13" x3="1.20943758" y3="0.48255083" z3="-2.12465478">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="C" id="a14" x3="1.2946031" y3="-0.89419759" z3="-2.34409494">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="C" id="a15" x3="0.42109887" y3="-1.76159996" z3="-1.68611599">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
</atom>
<atom elementType="H" id="a16" x3="-1.12614338" y3="-1.96604214" z3="-0.22799574">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="H" id="a17" x3="0.48251848" y3="-2.83965753" z3="-1.85876144">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="H" id="a18" x3="0.27695772" y3="2.05968922" z3="-1.01522877">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="H" id="a19" x3="-1.91590761" y3="0.6202424" z3="-0.13701807">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="H" id="a20" x3="1.89880581" y3="1.16312837" z3="-2.62858091">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
<atom elementType="H" id="a21" x3="2.06185928" y3="-1.29469787" z3="-3.01384615">
<scalar dataType="" dictRef="cc:basis"/>
<scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
</atom>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a12" order="S"/>
<bond atomRefs2="a12 a16" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C6H5.CH2O2.CHO2.Pd/c1-2-4-6-5-3-1;2*2-1-3;/h1-5H;1-2H;1H;/q;-1;-2;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-7,9H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,11;6,4,5;8,2,3;1/E:(2,3)(4,5);;(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.2;1.3,3-1;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3C3C3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4;s13;s14;/rC:-.1167,.3987,1.5609;1.6023,1.5141,1.4238;1.1903,.6164,3.3691;-2.9211,.7688,.6465;-1.7929,-.6714,1.9436;-2.8375,-.2265,1.4111;-3.7567,-.8216,1.57;1.9406,1.2798,2.6254;2.9178,1.6718,2.9831;.281,.9872,-1.2214;-.5889,.1391,-.4974;-.4947,-1.2538,-.7675;1.2094,.4826,-2.1247;1.2946,-.8942,-2.3441;.4211,-1.7616,-1.6861;-1.1261,-1.966,-.228;.4825,-2.8397,-1.8588;.277,2.0597,-1.0152;-1.9159,.6202,-.137;1.8988,1.1631,-2.6286;2.0619,-1.2947,-3.0138;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3</scalar>
</formula>
</molecule>
<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="8">OptTS PBE0 D3BJ def2-SVP def2/J TightSCF defgrid3 RIJCOSX</array>
<module cmlx:templateRef="block">
<scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
<scalar dataType="xsd:string" dictRef="o:parameters"/>
<scalar dataType="xsd:string" dictRef="o:parameter">calc_hess true</scalar>
<scalar dataType="xsd:string" dictRef="o:parameter">Trust -0.1</scalar>
<scalar dataType="xsd:string" dictRef="o:parameter">MaxIter 300</scalar>
</module>
<module cmlx:templateRef="block">
<scalar dataType="xsd:string" dictRef="o:type">output</scalar>
<scalar dataType="xsd:string" dictRef="o:parameters"/>
<scalar dataType="xsd:string" dictRef="o:parameter">xyzfile=True</scalar>
</module>
<module cmlx:templateRef="block">
<scalar dataType="xsd:string" dictRef="o:type">scf</scalar>
<scalar dataType="xsd:string" dictRef="o:parameters"/>
<scalar dataType="xsd:string" dictRef="o:parameter">maxiter 250</scalar>
</module>
<module cmlx:templateRef="block">
<scalar dataType="xsd:string" dictRef="o:type">output</scalar>
<scalar dataType="xsd:string" dictRef="o:parameters"/>
<scalar dataType="xsd:string" dictRef="o:parameter">Print[P_Hirshfeld] = 1</scalar>
</module>
<module cmlx:templateRef="block">
<scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
<scalar dataType="xsd:string" dictRef="o:parameters"/>
<scalar dataType="xsd:string" dictRef="o:parameter">3700</scalar>
<scalar dataType="xsd:string" dictRef="o:parameter">%pal nprocs 8</scalar>
</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="-0.115208" y3="0.398696" z3="1.571783"/>
<atom elementType="O" id="a2" x3="1.6060" y3="1.50909" z3="1.439692"/>
<atom elementType="O" id="a3" x3="1.165003" y3="0.628065" z3="3.386391"/>
<atom elementType="O" id="a4" x3="-2.905361" y3="0.760754" z3="0.625207"/>
<atom elementType="O" id="a5" x3="-1.798225" y3="-0.665363" z3="1.951113"/>
<atom elementType="C" id="a6" x3="-2.83674" y3="-0.224292" z3="1.403177"/>
<atom elementType="H" id="a7" x3="-3.760157" y3="-0.813821" z3="1.55948"/>
<atom elementType="C" id="a8" x3="1.927081" y3="1.284715" z3="2.647747"/>
<atom elementType="H" id="a9" x3="2.898476" y3="1.678959" z3="3.01702"/>
<atom elementType="C" id="a10" x3="0.291114" y3="0.984415" z3="-1.222876"/>
<atom elementType="C" id="a11" x3="-0.565062" y3="0.135488" z3="-0.483921"/>
<atom elementType="C" id="a12" x3="-0.478257" y3="-1.256107" z3="-0.756161"/>
<atom elementType="C" id="a13" x3="1.199744" y3="0.480557" z3="-2.145941"/>
<atom elementType="C" id="a14" x3="1.278934" y3="-0.896235" z3="-2.367711"/>
<atom elementType="C" id="a15" x3="0.419384" y3="-1.763784" z3="-1.692214"/>
<atom elementType="H" id="a16" x3="-1.103639" y3="-1.965441" z3="-0.206044"/>
<atom elementType="H" id="a17" x3="0.476031" y3="-2.841479" z3="-1.867611"/>
<atom elementType="H" id="a18" x3="0.287931" y3="2.057194" z3="-1.017149"/>
<atom elementType="H" id="a19" x3="-1.868023" y3="0.616173" z3="-0.110231"/>
<atom elementType="H" id="a20" x3="1.877514" y3="1.160848" z3="-2.665835"/>
<atom elementType="H" id="a21" x3="2.030221" y3="-1.296611" z3="-3.055043"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.1152,.3987,1.5718;1.606,1.5091,1.4397;1.165,.6281,3.3864;-2.9054,.7608,.6252;-1.7982,-.6654,1.9511;-2.8367,-.2243,1.4032;-3.7602,-.8138,1.5595;1.9271,1.2847,2.6477;2.8985,1.679,3.017;.2911,.9844,-1.2229;-.5651,.1355,-.4839;-.4783,-1.2561,-.7562;1.1997,.4806,-2.1459;1.2789,-.8962,-2.3677;.4194,-1.7638,-1.6922;-1.1036,-1.9654,-.206;.476,-2.8415,-1.8676;.2879,2.0572,-1.0171;-1.868,.6162,-.1102;1.8775,1.1608,-2.6658;2.0302,-1.2966,-3.055;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.113293" y3="0.399561" z3="1.583682"/>
<atom elementType="O" id="a2" x3="1.609827" y3="1.506279" z3="1.457692"/>
<atom elementType="O" id="a3" x3="1.138304" y3="0.643557" z3="3.405602"/>
<atom elementType="O" id="a4" x3="-2.88977" y3="0.753358" z3="0.605676"/>
<atom elementType="O" id="a5" x3="-1.802693" y3="-0.659685" z3="1.958471"/>
<atom elementType="C" id="a6" x3="-2.834854" y3="-0.22295" z3="1.395722"/>
<atom elementType="H" id="a7" x3="-3.762173" y3="-0.807158" z3="1.549811"/>
<atom elementType="C" id="a8" x3="1.912398" y3="1.293266" z3="2.672404"/>
<atom elementType="H" id="a9" x3="2.877039" y3="1.690936" z3="3.054025"/>
<atom elementType="C" id="a10" x3="0.305666" y3="0.98013" z3="-1.221665"/>
<atom elementType="C" id="a11" x3="-0.536775" y3="0.130552" z3="-0.468104"/>
<atom elementType="C" id="a12" x3="-0.460308" y3="-1.259417" z3="-0.745411"/>
<atom elementType="C" id="a13" x3="1.191221" y3="0.477105" z3="-2.167026"/>
<atom elementType="C" id="a14" x3="1.26119" y3="-0.899263" z3="-2.394454"/>
<atom elementType="C" id="a15" x3="0.415681" y3="-1.766671" z3="-1.701727"/>
<atom elementType="H" id="a16" x3="-1.07923" y3="-1.966261" z3="-0.184924"/>
<atom elementType="H" id="a17" x3="0.464904" y3="-2.843762" z3="-1.882137"/>
<atom elementType="H" id="a18" x3="0.306199" y3="2.052753" z3="-1.014447"/>
<atom elementType="H" id="a19" x3="-1.827598" y3="0.611812" z3="-0.088254"/>
<atom elementType="H" id="a20" x3="1.857299" y3="1.157027" z3="-2.702412"/>
<atom elementType="H" id="a21" x3="1.993726" y3="-1.299347" z3="-3.101651"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a13" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.1133,.3996,1.5837;1.6098,1.5063,1.4577;1.1383,.6436,3.4056;-2.8898,.7534,.6057;-1.8027,-.6597,1.9585;-2.8349,-.223,1.3957;-3.7622,-.8072,1.5498;1.9124,1.2933,2.6724;2.877,1.6909,3.054;.3057,.9801,-1.2217;-.5368,.1306,-.4681;-.4603,-1.2594,-.7454;1.1912,.4771,-2.167;1.2612,-.8993,-2.3945;.4157,-1.7667,-1.7017;-1.0792,-1.9663,-.1849;.4649,-2.8438,-1.8821;.3062,2.0528,-1.0144;-1.8276,.6118,-.0883;1.8573,1.157,-2.7024;1.9937,-1.2993,-3.1017;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.110947" y3="0.400313" z3="1.594923"/>
<atom elementType="O" id="a2" x3="1.614354" y3="1.503088" z3="1.474713"/>
<atom elementType="O" id="a3" x3="1.112469" y3="0.659841" z3="3.423674"/>
<atom elementType="O" id="a4" x3="-2.87482" y3="0.74411" z3="0.585192"/>
<atom elementType="O" id="a5" x3="-1.806388" y3="-0.653338" z3="1.966061"/>
<atom elementType="C" id="a6" x3="-2.832454" y3="-0.221661" z3="1.388344"/>
<atom elementType="H" id="a7" x3="-3.763302" y3="-0.800761" z3="1.541342"/>
<atom elementType="C" id="a8" x3="1.898403" y3="1.302295" z3="2.695801"/>
<atom elementType="H" id="a9" x3="2.856178" y3="1.703684" z3="3.089373"/>
<atom elementType="C" id="a10" x3="0.320092" y3="0.975816" z3="-1.219642"/>
<atom elementType="C" id="a11" x3="-0.509654" y3="0.125279" z3="-0.453608"/>
<atom elementType="C" id="a12" x3="-0.443668" y3="-1.263056" z3="-0.735961"/>
<atom elementType="C" id="a13" x3="1.183171" y3="0.473785" z3="-2.185887"/>
<atom elementType="C" id="a14" x3="1.243424" y3="-0.901981" z3="-2.419601"/>
<atom elementType="C" id="a15" x3="0.411241" y3="-1.769492" z3="-1.711342"/>
<atom elementType="H" id="a16" x3="-1.056653" y3="-1.967561" z3="-0.16613"/>
<atom elementType="H" id="a17" x3="0.452858" y3="-2.84587" z3="-1.89711"/>
<atom elementType="H" id="a18" x3="0.324589" y3="2.048109" z3="-1.010304"/>
<atom elementType="H" id="a19" x3="-1.78766" y3="0.607278" z3="-0.068106"/>
<atom elementType="H" id="a20" x3="1.838206" y3="1.153453" z3="-2.735152"/>
<atom elementType="H" id="a21" x3="1.95732" y3="-1.301507" z3="-3.145709"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a13" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.1109,.4003,1.5949;1.6144,1.5031,1.4747;1.1125,.6598,3.4237;-2.8748,.7441,.5852;-1.8064,-.6533,1.9661;-2.8325,-.2217,1.3883;-3.7633,-.8008,1.5413;1.8984,1.3023,2.6958;2.8562,1.7037,3.0894;.3201,.9758,-1.2196;-.5097,.1253,-.4536;-.4437,-1.2631,-.736;1.1832,.4738,-2.1859;1.2434,-.902,-2.4196;.4112,-1.7695,-1.7113;-1.0567,-1.9676,-.1661;.4529,-2.8459,-1.8971;.3246,2.0481,-1.0103;-1.7877,.6073,-.0681;1.8382,1.1535,-2.7352;1.9573,-1.3015,-3.1457;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.108356" y3="0.400942" z3="1.605749"/>
<atom elementType="O" id="a2" x3="1.619485" y3="1.499437" z3="1.491422"/>
<atom elementType="O" id="a3" x3="1.087188" y3="0.67663" z3="3.441096"/>
<atom elementType="O" id="a4" x3="-2.860071" y3="0.734169" z3="0.564271"/>
<atom elementType="O" id="a5" x3="-1.809723" y3="-0.64645" z3="1.9735"/>
<atom elementType="C" id="a6" x3="-2.829718" y3="-0.220205" z3="1.380736"/>
<atom elementType="H" id="a7" x3="-3.763919" y3="-0.794201" z3="1.533419"/>
<atom elementType="C" id="a8" x3="1.884899" y3="1.311501" z3="2.71857"/>
<atom elementType="H" id="a9" x3="2.835728" y3="1.716762" z3="3.123765"/>
<atom elementType="C" id="a10" x3="0.334423" y3="0.971441" z3="-1.217211"/>
<atom elementType="C" id="a11" x3="-0.482976" y3="0.119652" z3="-0.439954"/>
<atom elementType="C" id="a12" x3="-0.427557" y3="-1.267053" z3="-0.727231"/>
<atom elementType="C" id="a13" x3="1.175124" y3="0.470619" z3="-2.203465"/>
<atom elementType="C" id="a14" x3="1.225452" y3="-0.904403" z3="-2.443714"/>
<atom elementType="C" id="a15" x3="0.406461" y3="-1.772293" z3="-1.720907"/>
<atom elementType="H" id="a16" x3="-1.034575" y3="-1.969434" z3="-0.148519"/>
<atom elementType="H" id="a17" x3="0.440496" y3="-2.847882" z3="-1.912101"/>
<atom elementType="H" id="a18" x3="0.343084" y3="2.043263" z3="-1.005283"/>
<atom elementType="H" id="a19" x3="-1.748548" y3="0.602175" z3="-0.049567"/>
<atom elementType="H" id="a20" x3="1.819257" y3="1.150225" z3="-2.76564"/>
<atom elementType="H" id="a21" x3="1.920606" y3="-1.30307" z3="-3.188062"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a13" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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>
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.105577" y3="0.401447" z3="1.616046"/>
<atom elementType="O" id="a2" x3="1.62513" y3="1.495317" z3="1.507522"/>
<atom elementType="O" id="a3" x3="1.062753" y3="0.693911" z3="3.45767"/>
<atom elementType="O" id="a4" x3="-2.845855" y3="0.72311" z3="0.54288"/>
<atom elementType="O" id="a5" x3="-1.812663" y3="-0.638962" z3="1.980937"/>
<atom elementType="C" id="a6" x3="-2.826732" y3="-0.218709" z3="1.37317"/>
<atom elementType="H" id="a7" x3="-3.764065" y3="-0.787606" z3="1.526599"/>
<atom elementType="C" id="a8" x3="1.872021" y3="1.32088" z3="2.740359"/>
<atom elementType="H" id="a9" x3="2.81592" y3="1.730151" z3="3.156655"/>
<atom elementType="C" id="a10" x3="0.348612" y3="0.96703" z3="-1.214319"/>
<atom elementType="C" id="a11" x3="-0.457108" y3="0.113725" z3="-0.427274"/>
<atom elementType="C" id="a12" x3="-0.412301" y3="-1.271335" z3="-0.719416"/>
<atom elementType="C" id="a13" x3="1.167391" y3="0.467648" z3="-2.219474"/>
<atom elementType="C" id="a14" x3="1.207567" y3="-0.906481" z3="-2.466528"/>
<atom elementType="C" id="a15" x3="0.401304" y3="-1.775012" z3="-1.730433"/>
<atom elementType="H" id="a16" x3="-1.013573" y3="-1.971805" z3="-0.132506"/>
<atom elementType="H" id="a17" x3="0.427759" y3="-2.849722" z3="-1.927176"/>
<atom elementType="H" id="a18" x3="0.361664" y3="2.038233" z3="-0.999301"/>
<atom elementType="H" id="a19" x3="-1.710697" y3="0.596634" z3="-0.032931"/>
<atom elementType="H" id="a20" x3="1.801068" y3="1.147362" z3="-2.793356"/>
<atom elementType="H" id="a21" x3="1.884142" y3="-1.303994" z3="-3.228249"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a13" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.1056,.4014,1.616;1.6251,1.4953,1.5075;1.0628,.6939,3.4577;-2.8459,.7231,.5429;-1.8127,-.639,1.9809;-2.8267,-.2187,1.3732;-3.7641,-.7876,1.5266;1.872,1.3209,2.7404;2.8159,1.7302,3.1567;.3486,.967,-1.2143;-.4571,.1137,-.4273;-.4123,-1.2713,-.7194;1.1674,.4676,-2.2195;1.2076,-.9065,-2.4665;.4013,-1.775,-1.7304;-1.0136,-1.9718,-.1325;.4278,-2.8497,-1.9272;.3617,2.0382,-.9993;-1.7107,.5966,-.0329;1.8011,1.1474,-2.7934;1.8841,-1.304,-3.2282;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102723" y3="0.401804" z3="1.625824"/>
<atom elementType="O" id="a2" x3="1.631154" y3="1.490676" z3="1.523082"/>
<atom elementType="O" id="a3" x3="1.039123" y3="0.711542" z3="3.473441"/>
<atom elementType="O" id="a4" x3="-2.832072" y3="0.711161" z3="0.521305"/>
<atom elementType="O" id="a5" x3="-1.815325" y3="-0.630948" z3="1.98835"/>
<atom elementType="C" id="a6" x3="-2.823596" y3="-0.217134" z3="1.365722"/>
<atom elementType="H" id="a7" x3="-3.763936" y3="-0.780783" z3="1.520982"/>
<atom elementType="C" id="a8" x3="1.859708" y3="1.330293" z3="2.761199"/>
<atom elementType="H" id="a9" x3="2.796748" y3="1.74366" z3="3.188029"/>
<atom elementType="C" id="a10" x3="0.362576" y3="0.96261" z3="-1.211146"/>
<atom elementType="C" id="a11" x3="-0.432078" y3="0.107558" z3="-0.415535"/>
<atom elementType="C" id="a12" x3="-0.397802" y3="-1.27585" z3="-0.712452"/>
<atom elementType="C" id="a13" x3="1.159965" y3="0.464905" z3="-2.234114"/>
<atom elementType="C" id="a14" x3="1.189905" y3="-0.908205" z3="-2.488095"/>
<atom elementType="C" id="a15" x3="0.395941" y3="-1.777633" z3="-1.739856"/>
<atom elementType="H" id="a16" x3="-0.993545" y3="-1.974618" z3="-0.117984"/>
<atom elementType="H" id="a17" x3="0.414897" y3="-2.851385" z3="-1.942187"/>
<atom elementType="H" id="a18" x3="0.380165" y3="2.033068" z3="-0.992652"/>
<atom elementType="H" id="a19" x3="-1.674091" y3="0.590485" z3="-0.0181"/>
<atom elementType="H" id="a20" x3="1.783598" y3="1.144896" z3="-2.818631"/>
<atom elementType="H" id="a21" x3="1.848145" y3="-1.304277" z3="-3.26631"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a13" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.1027,.4018,1.6258;1.6312,1.4907,1.5231;1.0391,.7115,3.4734;-2.8321,.7112,.5213;-1.8153,-.6309,1.9884;-2.8236,-.2171,1.3657;-3.7639,-.7808,1.521;1.8597,1.3303,2.7612;2.7967,1.7437,3.188;.3626,.9626,-1.2111;-.4321,.1076,-.4155;-.3978,-1.2758,-.7125;1.16,.4649,-2.2341;1.1899,-.9082,-2.4881;.3959,-1.7776,-1.7399;-.9935,-1.9746,-.118;.4149,-2.8514,-1.9422;.3802,2.0331,-.9927;-1.6741,.5905,-.0181;1.7836,1.1449,-2.8186;1.8481,-1.3043,-3.2663;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.099841" y3="0.402014" z3="1.635032"/>
<atom elementType="O" id="a2" x3="1.637469" y3="1.485548" z3="1.538077"/>
<atom elementType="O" id="a3" x3="1.016342" y3="0.729375" z3="3.488354"/>
<atom elementType="O" id="a4" x3="-2.818891" y3="0.698342" z3="0.499844"/>
<atom elementType="O" id="a5" x3="-1.817691" y3="-0.622476" z3="1.995755"/>
<atom elementType="C" id="a6" x3="-2.820385" y3="-0.215529" z3="1.358604"/>
<atom elementType="H" id="a7" x3="-3.763616" y3="-0.773716" z3="1.516917"/>
<atom elementType="C" id="a8" x3="1.847968" y3="1.339648" z3="2.781033"/>
<atom elementType="H" id="a9" x3="2.778272" y3="1.757151" z3="3.217789"/>
<atom elementType="C" id="a10" x3="0.376236" y3="0.958219" z3="-1.207845"/>
<atom elementType="C" id="a11" x3="-0.408054" y3="0.101247" z3="-0.40482"/>
<atom elementType="C" id="a12" x3="-0.384145" y3="-1.280508" z3="-0.706412"/>
<atom elementType="C" id="a13" x3="1.15298" y3="0.462392" z3="-2.247445"/>
<atom elementType="C" id="a14" x3="1.172701" y3="-0.909587" z3="-2.508369"/>
<atom elementType="C" id="a15" x3="0.390473" y3="-1.78013" z3="-1.749158"/>
<atom elementType="H" id="a16" x3="-0.974688" y3="-1.977769" z3="-0.105086"/>
<atom elementType="H" id="a17" x3="0.402049" y3="-2.852855" z3="-1.957063"/>
<atom elementType="H" id="a18" x3="0.398458" y3="2.027825" z3="-0.985591"/>
<atom elementType="H" id="a19" x3="-1.638998" y3="0.583801" z3="-0.005111"/>
<atom elementType="H" id="a20" x3="1.767085" y3="1.1428" z3="-2.841532"/>
<atom elementType="H" id="a21" x3="1.813036" y3="-1.30397" z3="-3.302102"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a19" 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 a11" order="S"/>
<bond atomRefs2="a10 a13" order="S"/>
<bond atomRefs2="a10 a18" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.0998,.402,1.635;1.6375,1.4855,1.5381;1.0163,.7294,3.4884;-2.8189,.6983,.4998;-1.8177,-.6225,1.9958;-2.8204,-.2155,1.3586;-3.7636,-.7737,1.5169;1.848,1.3396,2.781;2.7783,1.7572,3.2178;.3762,.9582,-1.2078;-.4081,.1012,-.4048;-.3841,-1.2805,-.7064;1.153,.4624,-2.2474;1.1727,-.9096,-2.5084;.3905,-1.7801,-1.7492;-.9747,-1.9778,-.1051;.402,-2.8529,-1.9571;.3985,2.0278,-.9856;-1.639,.5838,-.0051;1.7671,1.1428,-2.8415;1.813,-1.304,-3.3021;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.096991" y3="0.402053" z3="1.643602"/>
<atom elementType="O" id="a2" x3="1.644005" y3="1.479902" z3="1.552502"/>
<atom elementType="O" id="a3" x3="0.994386" y3="0.747167" z3="3.502346"/>
<atom elementType="O" id="a4" x3="-2.806418" y3="0.684883" z3="0.478887"/>
<atom elementType="O" id="a5" x3="-1.819796" y3="-0.613659" z3="2.003109"/>
<atom elementType="C" id="a6" x3="-2.817203" y3="-0.213864" z3="1.351999"/>
<atom elementType="H" id="a7" x3="-3.763265" y3="-0.766235" z3="1.514657"/>
<atom elementType="C" id="a8" x3="1.836783" y3="1.34875" z3="2.799829"/>
<atom elementType="H" id="a9" x3="2.760522" y3="1.770355" z3="3.245911"/>
<atom elementType="C" id="a10" x3="0.389435" y3="0.95392" z3="-1.204643"/>
<atom elementType="C" id="a11" x3="-0.385179" y3="0.094905" z3="-0.395192"/>
<atom elementType="C" id="a12" x3="-0.371303" y3="-1.285218" z3="-0.701298"/>
<atom elementType="C" id="a13" x3="1.146471" y3="0.46013" z3="-2.259629"/>
<atom elementType="C" id="a14" x3="1.156203" y3="-0.910645" z3="-2.527333"/>
<atom elementType="C" id="a15" x3="0.385113" y3="-1.782487" z3="-1.758255"/>
<atom elementType="H" id="a16" x3="-0.957005" y3="-1.98116" z3="-0.093801"/>
<atom elementType="H" id="a17" x3="0.38955" y3="-2.854139" z3="-1.9716"/>
<atom elementType="H" id="a18" x3="0.416258" y3="2.022603" z3="-0.97851"/>
<atom elementType="H" id="a19" x3="-1.605632" y3="0.576614" z3="0.006124"/>
<atom elementType="H" id="a20" x3="1.751573" y3="1.141081" z3="-2.862307"/>
<atom elementType="H" id="a21" x3="1.779253" y3="-1.303133" z3="-3.335524"/>
</atomArray>
<bondArray>
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<bond atomRefs2="a1 a5" 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="a4 a19" 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 a21" order="S"/>
<bond atomRefs2="a14 a15" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.097,.4021,1.6436;1.644,1.4799,1.5525;.9944,.7472,3.5023;-2.8064,.6849,.4789;-1.8198,-.6137,2.0031;-2.8172,-.2139,1.352;-3.7633,-.7662,1.5147;1.8368,1.3487,2.7998;2.7605,1.7704,3.2459;.3894,.9539,-1.2046;-.3852,.0949,-.3952;-.3713,-1.2852,-.7013;1.1465,.4601,-2.2596;1.1562,-.9106,-2.5273;.3851,-1.7825,-1.7583;-.957,-1.9812,-.0938;.3896,-2.8541,-1.9716;.4163,2.0226,-.9785;-1.6056,.5766,.0061;1.7516,1.1411,-2.8623;1.7793,-1.3031,-3.3355;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.094211" y3="0.401913" z3="1.651414"/>
<atom elementType="O" id="a2" x3="1.650721" y3="1.473741" z3="1.566236"/>
<atom elementType="O" id="a3" x3="0.973295" y3="0.764649" z3="3.515247"/>
<atom elementType="O" id="a4" x3="-2.794885" y3="0.670963" z3="0.458825"/>
<atom elementType="O" id="a5" x3="-1.821626" y3="-0.604606" z3="2.010396"/>
<atom elementType="C" id="a6" x3="-2.814163" y3="-0.212135" z3="1.346156"/>
<atom elementType="H" id="a7" x3="-3.763019" y3="-0.758219" z3="1.514557"/>
<atom elementType="C" id="a8" x3="1.826187" y3="1.357405" z3="2.817449"/>
<atom elementType="H" id="a9" x3="2.743581" y3="1.783002" z3="3.27227"/>
<atom elementType="C" id="a10" x3="0.401984" y3="0.949781" z3="-1.201726"/>
<atom elementType="C" id="a11" x3="-0.36369" y3="0.088648" z3="-0.386761"/>
<atom elementType="C" id="a12" x3="-0.359346" y3="-1.289883" z3="-0.69717"/>
<atom elementType="C" id="a13" x3="1.140543" y3="0.458136" z3="-2.270727"/>
<atom elementType="C" id="a14" x3="1.140736" y3="-0.9114" z3="-2.544902"/>
<atom elementType="C" id="a15" x3="0.380058" y3="-1.784684" z3="-1.767081"/>
<atom elementType="H" id="a16" x3="-0.940642" y3="-1.984688" z3="-0.084223"/>
<atom elementType="H" id="a17" x3="0.377725" y3="-2.855242" z3="-1.985635"/>
<atom elementType="H" id="a18" x3="0.433245" y3="2.017508" z3="-0.971735"/>
<atom elementType="H" id="a19" x3="-1.574377" y3="0.56904" z3="0.015666"/>
<atom elementType="H" id="a20" x3="1.737247" y3="1.139734" z3="-2.881027"/>
<atom elementType="H" id="a21" x3="1.747398" y3="-1.30184" z3="-3.366354"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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="a4 a19" 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 a15" order="S"/>
<bond atomRefs2="a12 a16" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.0942,.4019,1.6514;1.6507,1.4737,1.5662;.9733,.7646,3.5152;-2.7949,.671,.4588;-1.8216,-.6046,2.0104;-2.8142,-.2121,1.3462;-3.763,-.7582,1.5146;1.8262,1.3574,2.8174;2.7436,1.783,3.2723;.402,.9498,-1.2017;-.3637,.0886,-.3868;-.3593,-1.2899,-.6972;1.1405,.4581,-2.2707;1.1407,-.9114,-2.5449;.3801,-1.7847,-1.7671;-.9406,-1.9847,-.0842;.3777,-2.8552,-1.9856;.4332,2.0175,-.9717;-1.5744,.569,.0157;1.7372,1.1397,-2.881;1.7474,-1.3018,-3.3664;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.091557" y3="0.401592" z3="1.658367"/>
<atom elementType="O" id="a2" x3="1.657562" y3="1.467058" z3="1.579183"/>
<atom elementType="O" id="a3" x3="0.953147" y3="0.781513" z3="3.526935"/>
<atom elementType="O" id="a4" x3="-2.784474" y3="0.656832" z3="0.439991"/>
<atom elementType="O" id="a5" x3="-1.823217" y3="-0.595448" z3="2.017554"/>
<atom elementType="C" id="a6" x3="-2.811394" y3="-0.210308" z3="1.341251"/>
<atom elementType="H" id="a7" x3="-3.763044" y3="-0.749501" z3="1.516799"/>
<atom elementType="C" id="a8" x3="1.816235" y3="1.36538" z3="2.83378"/>
<atom elementType="H" id="a9" x3="2.727567" y3="1.794758" z3="3.296754"/>
<atom elementType="C" id="a10" x3="0.413669" y3="0.945888" z3="-1.19927"/>
<atom elementType="C" id="a11" x3="-0.343788" y3="0.082607" z3="-0.379573"/>
<atom elementType="C" id="a12" x3="-0.348271" y3="-1.294404" z3="-0.694001"/>
<atom elementType="C" id="a13" x3="1.135221" y3="0.456437" z3="-2.280836"/>
<atom elementType="C" id="a14" x3="1.126582" y3="-0.911872" z3="-2.561011"/>
<atom elementType="C" id="a15" x3="0.375539" y3="-1.786703" z3="-1.775522"/>
<atom elementType="H" id="a16" x3="-0.925603" y3="-1.988256" z3="-0.076304"/>
<atom elementType="H" id="a17" x3="0.366963" y3="-2.856183" z3="-1.99893"/>
<atom elementType="H" id="a18" x3="0.449046" y3="2.012671" z3="-0.965598"/>
<atom elementType="H" id="a19" x3="-1.545578" y3="0.561164" z3="0.023586"/>
<atom elementType="H" id="a20" x3="1.724151" y3="1.138771" z3="-2.897852"/>
<atom elementType="H" id="a21" x3="1.718004" y3="-1.300174" z3="-3.394427"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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="a4 a19" 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 a15" order="S"/>
<bond atomRefs2="a12 a16" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.0916,.4016,1.6584;1.6576,1.4671,1.5792;.9531,.7815,3.5269;-2.7845,.6568,.44;-1.8232,-.5954,2.0176;-2.8114,-.2103,1.3413;-3.763,-.7495,1.5168;1.8162,1.3654,2.8338;2.7276,1.7948,3.2968;.4137,.9459,-1.1993;-.3438,.0826,-.3796;-.3483,-1.2944,-.694;1.1352,.4564,-2.2808;1.1266,-.9119,-2.561;.3755,-1.7867,-1.7755;-.9256,-1.9883,-.0763;.367,-2.8562,-1.9989;.449,2.0127,-.9656;-1.5456,.5612,.0236;1.7242,1.1388,-2.8979;1.718,-1.3002,-3.3944;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.089074" y3="0.401126" z3="1.664376"/>
<atom elementType="O" id="a2" x3="1.664491" y3="1.459891" z3="1.591185"/>
<atom elementType="O" id="a3" x3="0.934055" y3="0.797515" z3="3.537258"/>
<atom elementType="O" id="a4" x3="-2.775391" y3="0.642656" z3="0.422613"/>
<atom elementType="O" id="a5" x3="-1.824595" y3="-0.586258" z3="2.024585"/>
<atom elementType="C" id="a6" x3="-2.809015" y3="-0.208359" z3="1.337453"/>
<atom elementType="H" id="a7" x3="-3.763464" y3="-0.739967" z3="1.521528"/>
<atom elementType="C" id="a8" x3="1.807011" y3="1.372499" z3="2.848664"/>
<atom elementType="H" id="a9" x3="2.71263" y3="1.805356" z3="3.319207"/>
<atom elementType="C" id="a10" x3="0.4243" y3="0.942297" z3="-1.197352"/>
<atom elementType="C" id="a11" x3="-0.325685" y3="0.076868" z3="-0.373646"/>
<atom elementType="C" id="a12" x3="-0.338116" y3="-1.298718" z3="-0.691783"/>
<atom elementType="C" id="a13" x3="1.130561" y3="0.455055" z3="-2.289972"/>
<atom elementType="C" id="a14" x3="1.114006" y3="-0.912079" z3="-2.575588"/>
<atom elementType="C" id="a15" x3="0.371729" y3="-1.788532" z3="-1.78351"/>
<atom elementType="H" id="a16" x3="-0.911957" y3="-1.99181" z3="-0.070044"/>
<atom elementType="H" id="a17" x3="0.357565" y3="-2.85698" z3="-2.011357"/>
<atom elementType="H" id="a18" x3="0.463335" y3="2.008183" z3="-0.960269"/>
<atom elementType="H" id="a19" x3="-1.519612" y3="0.553081" z3="0.029924"/>
<atom elementType="H" id="a20" x3="1.7124" y3="1.138204" z3="-2.912804"/>
<atom elementType="H" id="a21" x3="1.691586" y3="-1.298204" z3="-3.419595"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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="a4 a19" 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 a15" order="S"/>
<bond atomRefs2="a12 a16" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.0891,.4011,1.6644;1.6645,1.4599,1.5912;.9341,.7975,3.5373;-2.7754,.6427,.4226;-1.8246,-.5863,2.0246;-2.809,-.2084,1.3375;-3.7635,-.74,1.5215;1.807,1.3725,2.8487;2.7126,1.8054,3.3192;.4243,.9423,-1.1974;-.3257,.0769,-.3736;-.3381,-1.2987,-.6918;1.1306,.4551,-2.29;1.114,-.9121,-2.5756;.3717,-1.7885,-1.7835;-.912,-1.9918,-.07;.3576,-2.857,-2.0114;.4633,2.0082,-.9603;-1.5196,.5531,.0299;1.7124,1.1382,-2.9128;1.6916,-1.2982,-3.4196;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.086838" y3="0.400555" z3="1.669385"/>
<atom elementType="O" id="a2" x3="1.671442" y3="1.452281" z3="1.602027"/>
<atom elementType="O" id="a3" x3="0.91614" y3="0.812468" z3="3.546057"/>
<atom elementType="O" id="a4" x3="-2.76775" y3="0.628573" z3="0.406816"/>
<atom elementType="O" id="a5" x3="-1.825862" y3="-0.577088" z3="2.031539"/>
<atom elementType="C" id="a6" x3="-2.807153" y3="-0.206248" z3="1.334875"/>
<atom elementType="H" id="a7" x3="-3.764432" y3="-0.729471" z3="1.528746"/>
<atom elementType="C" id="a8" x3="1.798597" y3="1.37862" z3="2.861901"/>
<atom elementType="H" id="a9" x3="2.698919" y3="1.814576" z3="3.339417"/>
<atom elementType="C" id="a10" x3="0.433724" y3="0.939043" z3="-1.195956"/>
<atom elementType="C" id="a11" x3="-0.30953" y3="0.071464" z3="-0.36892"/>
<atom elementType="C" id="a12" x3="-0.328888" y3="-1.302803" z3="-0.690465"/>
<atom elementType="C" id="a13" x3="1.126593" y3="0.454015" z3="-2.298114"/>
<atom elementType="C" id="a14" x3="1.103216" y3="-0.912025" z3="-2.588585"/>
<atom elementType="C" id="a15" x3="0.368779" y3="-1.790165" z3="-1.790991"/>
<atom elementType="H" id="a16" x3="-0.899708" y3="-1.995353" z3="-0.065391"/>
<atom elementType="H" id="a17" x3="0.349796" y3="-2.857644" z3="-2.022842"/>
<atom elementType="H" id="a18" x3="0.475846" y3="2.004102" z3="-0.955774"/>
<atom elementType="H" id="a19" x3="-1.496742" y3="0.544815" z3="0.034791"/>
<atom elementType="H" id="a20" x3="1.702062" y3="1.138068" z3="-2.925866"/>
<atom elementType="H" id="a21" x3="1.668549" y3="-1.295962" z3="-3.441777"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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="a4 a19" 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 a15" order="S"/>
<bond atomRefs2="a12 a16" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.0868,.4006,1.6694;1.6714,1.4523,1.602;.9161,.8125,3.5461;-2.7677,.6286,.4068;-1.8259,-.5771,2.0315;-2.8072,-.2062,1.3349;-3.7644,-.7295,1.5287;1.7986,1.3786,2.8619;2.6989,1.8146,3.3394;.4337,.939,-1.196;-.3095,.0715,-.3689;-.3289,-1.3028,-.6905;1.1266,.454,-2.2981;1.1032,-.912,-2.5886;.3688,-1.7902,-1.791;-.8997,-1.9954,-.0654;.3498,-2.8576,-2.0228;.4758,2.0041,-.9558;-1.4967,.5448,.0348;1.7021,1.1381,-2.9259;1.6685,-1.296,-3.4418;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.084876" y3="0.399906" z3="1.673492"/>
<atom elementType="O" id="a2" x3="1.678417" y3="1.444127" z3="1.611839"/>
<atom elementType="O" id="a3" x3="0.899437" y3="0.826295" z3="3.553561"/>
<atom elementType="O" id="a4" x3="-2.761498" y3="0.614782" z3="0.392424"/>
<atom elementType="O" id="a5" x3="-1.827169" y3="-0.567878" z3="2.038318"/>
<atom elementType="C" id="a6" x3="-2.805884" y3="-0.203844" z3="1.33334"/>
<atom elementType="H" id="a7" x3="-3.766039" y3="-0.717848" z3="1.538009"/>
<atom elementType="C" id="a8" x3="1.791043" y3="1.383581" z3="2.873673"/>
<atom elementType="H" id="a9" x3="2.686572" y3="1.82215" z3="3.357545"/>
<atom elementType="C" id="a10" x3="0.441814" y3="0.936163" z3="-1.195117"/>
<atom elementType="C" id="a11" x3="-0.295248" y3="0.066422" z3="-0.365239"/>
<atom elementType="C" id="a12" x3="-0.320322" y3="-1.306674" z3="-0.689779"/>
<atom elementType="C" id="a13" x3="1.12308" y3="0.453349" z3="-2.305464"/>
<atom elementType="C" id="a14" x3="1.094134" y3="-0.911724" z3="-2.600125"/>
<atom elementType="C" id="a15" x3="0.366868" y3="-1.79164" z3="-1.797832"/>
<atom elementType="H" id="a16" x3="-0.888403" y3="-1.998914" z3="-0.061912"/>
<atom elementType="H" id="a17" x3="0.343975" y3="-2.858251" z3="-2.033179"/>
<atom elementType="H" id="a18" x3="0.486305" y3="2.0005" z3="-0.952241"/>
<atom elementType="H" id="a19" x3="-1.476901" y3="0.536399" z3="0.038266"/>
<atom elementType="H" id="a20" x3="1.692694" y3="1.138409" z3="-2.937458"/>
<atom elementType="H" id="a21" x3="1.648759" y3="-1.293488" z3="-3.461248"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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="a4 a19" 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 a15" order="S"/>
<bond atomRefs2="a12 a16" 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/C7H7O2.CHO2.Pd/c8-6-9-10-7-4-2-1-3-5-7;2-1-3;/h1-6H;1H;/q-1;-2;+3/rC8H8O4Pd/c1-2-4-8(5-3-1)13(9-6-10-13)11-7-12-14-8/h1-7H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,13,15,10,12,6,11,5,4,19;8,2,3;1/E:(2,3)(4,5);(2,3);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8-1,10.2;1.3,2-1,3-1;/rA:21nPdOOOOC3HC3HC3CC3C3C3C3HHHH2HH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s4s11;s13;s14;/rC:-.0849,.3999,1.6735;1.6784,1.4441,1.6118;.8994,.8263,3.5536;-2.7615,.6148,.3924;-1.8272,-.5679,2.0383;-2.8059,-.2038,1.3333;-3.766,-.7178,1.538;1.791,1.3836,2.8737;2.6866,1.8221,3.3575;.4418,.9362,-1.1951;-.2952,.0664,-.3652;-.3203,-1.3067,-.6898;1.1231,.4533,-2.3055;1.0941,-.9117,-2.6001;.3669,-1.7916,-1.7978;-.8884,-1.9989,-.0619;.344,-2.8583,-2.0332;.4863,2.0005,-.9522;-1.4769,.5364,.0383;1.6927,1.1384,-2.9375;1.6488,-1.2935,-3.4612;/R:/0/N:14,13,15,10,12,8,6,11,2,3,5,4,1,19/E:(2,3)(4,5)(9,10)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,14.2</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.083198" y3="0.399244" z3="1.676732"/>
<atom elementType="O" id="a2" x3="1.685415" y3="1.435495" z3="1.620509"/>
<atom elementType="O" id="a3" x3="0.883941" y3="0.838991" z3="3.559682"/>
<atom elementType="O" id="a4" x3="-2.756624" y3="0.601291" z3="0.37937"/>
<atom elementType="O" id="a5" x3="-1.828582" y3="-0.55857" z3="2.045019"/>
<atom elementType="C" id="a6" x3="-2.805245" y3="-0.201111" z3="1.33285"/>
<atom elementType="H" id="a7" x3="-3.768308" y3="-0.705043" z3="1.549147"/>
<atom elementType="C" id="a8" x3="1.78438" y3="1.387389" z3="2.883905"/>
<atom elementType="H" id="a9" x3="2.675609" y3="1.828071" z3="3.373583"/>
<atom elementType="C" id="a10" x3="0.448534" y3="0.933618" z3="-1.194728"/>
<atom elementType="C" id="a11" x3="-0.28283" y3="0.061676" z3="-0.36247"/>
<atom elementType="C" id="a12" x3="-0.312392" y3="-1.31039" z3="-0.689677"/>
<atom elementType="C" id="a13" x3="1.12001" y3="0.453045" z3="-2.311998"/>
<atom elementType="C" id="a14" x3="1.086783" y3="-0.911185" z3="-2.610261"/>
<atom elementType="C" id="a15" x3="0.366021" y3="-1.792978" z3="-1.804075"/>
<atom elementType="H" id="a16" x3="-0.877999" y3="-2.002582" z3="-0.059554"/>
<atom elementType="H" id="a17" x3="0.340138" y3="-2.85882" z3="-2.042473"/>
<atom elementType="H" id="a18" x3="0.494636" y3="1.997344" z3="-0.94953"/>
<atom elementType="H" id="a19" x3="-1.460078" y3="0.527879" z3="0.040523"/>
<atom elementType="H" id="a20" x3="1.684281" y3="1.139236" z3="-2.947557"/>
<atom elementType="H" id="a21" x3="1.632267" y3="-1.290778" z3="-3.478125"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0832,.3992,1.6767;1.6854,1.4355,1.6205;.8839,.839,3.5597;-2.7566,.6013,.3794;-1.8286,-.5586,2.045;-2.8052,-.2011,1.3329;-3.7683,-.705,1.5491;1.7844,1.3874,2.8839;2.6756,1.8281,3.3736;.4485,.9336,-1.1947;-.2828,.0617,-.3625;-.3124,-1.3104,-.6897;1.12,.453,-2.312;1.0868,-.9112,-2.6103;.366,-1.793,-1.8041;-.878,-2.0026,-.0596;.3401,-2.8588,-2.0425;.4946,1.9973,-.9495;-1.4601,.5279,.0405;1.6843,1.1392,-2.9476;1.6323,-1.2908,-3.4781;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.081869" y3="0.398535" z3="1.679233"/>
<atom elementType="O" id="a2" x3="1.692415" y3="1.426185" z3="1.628153"/>
<atom elementType="O" id="a3" x3="0.869641" y3="0.850579" z3="3.564671"/>
<atom elementType="O" id="a4" x3="-2.752932" y3="0.588278" z3="0.367403"/>
<atom elementType="O" id="a5" x3="-1.830327" y3="-0.549079" z3="2.051594"/>
<atom elementType="C" id="a6" x3="-2.80531" y3="-0.197879" z3="1.333168"/>
<atom elementType="H" id="a7" x3="-3.771369" y3="-0.690805" z3="1.56163"/>
<atom elementType="C" id="a8" x3="1.778623" y3="1.389916" z3="2.892762"/>
<atom elementType="H" id="a9" x3="2.666121" y3="1.832138" z3="3.387659"/>
<atom elementType="C" id="a10" x3="0.453797" y3="0.93143" z3="-1.194785"/>
<atom elementType="C" id="a11" x3="-0.272106" y3="0.057196" z3="-0.36043"/>
<atom elementType="C" id="a12" x3="-0.304777" y3="-1.314012" z3="-0.689884"/>
<atom elementType="C" id="a13" x3="1.117097" y3="0.453144" z3="-2.317906"/>
<atom elementType="C" id="a14" x3="1.081009" y3="-0.910399" z3="-2.619133"/>
<atom elementType="C" id="a15" x3="0.366408" y3="-1.794219" z3="-1.809605"/>
<atom elementType="H" id="a16" x3="-0.867952" y3="-2.006443" z3="-0.057867"/>
<atom elementType="H" id="a17" x3="0.338589" y3="-2.859419" z3="-2.050554"/>
<atom elementType="H" id="a18" x3="0.500628" y3="1.994677" z3="-0.947684"/>
<atom elementType="H" id="a19" x3="-1.445985" y3="0.519183" z3="0.041731"/>
<atom elementType="H" id="a20" x3="1.676281" y3="1.140627" z3="-2.956564"/>
<atom elementType="H" id="a21" x3="1.618775" y3="-1.287812" z3="-3.492718"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0819,.3985,1.6792;1.6924,1.4262,1.6282;.8696,.8506,3.5647;-2.7529,.5883,.3674;-1.8303,-.5491,2.0516;-2.8053,-.1979,1.3332;-3.7714,-.6908,1.5616;1.7786,1.3899,2.8928;2.6661,1.8321,3.3877;.4538,.9314,-1.1948;-.2721,.0572,-.3604;-.3048,-1.314,-.6899;1.1171,.4531,-2.3179;1.081,-.9104,-2.6191;.3664,-1.7942,-1.8096;-.868,-2.0064,-.0579;.3386,-2.8594,-2.0506;.5006,1.9947,-.9477;-1.446,.5192,.0417;1.6763,1.1406,-2.9566;1.6188,-1.2878,-3.4927;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.080822" y3="0.397819" z3="1.681063"/>
<atom elementType="O" id="a2" x3="1.699514" y3="1.416165" z3="1.634806"/>
<atom elementType="O" id="a3" x3="0.85643" y3="0.86111" z3="3.568551"/>
<atom elementType="O" id="a4" x3="-2.750404" y3="0.575723" z3="0.356396"/>
<atom elementType="O" id="a5" x3="-1.832419" y3="-0.539231" z3="2.058115"/>
<atom elementType="C" id="a6" x3="-2.806062" y3="-0.194058" z3="1.334259"/>
<atom elementType="H" id="a7" x3="-3.775152" y3="-0.675108" z3="1.57529"/>
<atom elementType="C" id="a8" x3="1.773763" y3="1.391165" z3="2.900335"/>
<atom elementType="H" id="a9" x3="2.658051" y3="1.834355" z3="3.399978"/>
<atom elementType="C" id="a10" x3="0.45757" y3="0.92956" z3="-1.195249"/>
<atom elementType="C" id="a11" x3="-0.263027" y3="0.052905" z3="-0.359056"/>
<atom elementType="C" id="a12" x3="-0.297401" y3="-1.317618" z3="-0.690347"/>
<atom elementType="C" id="a13" x3="1.11426" y3="0.453634" z3="-2.323242"/>
<atom elementType="C" id="a14" x3="1.076752" y3="-0.909382" z3="-2.626839"/>
<atom elementType="C" id="a15" x3="0.368056" y3="-1.795408" z3="-1.81446"/>
<atom elementType="H" id="a16" x3="-0.858133" y3="-2.010593" z3="-0.056768"/>
<atom elementType="H" id="a17" x3="0.339376" y3="-2.860094" z3="-2.057502"/>
<atom elementType="H" id="a18" x3="0.504188" y3="1.992465" z3="-0.946656"/>
<atom elementType="H" id="a19" x3="-1.434513" y3="0.510418" z3="0.041999"/>
<atom elementType="H" id="a20" x3="1.668552" y3="1.142587" z3="-2.964581"/>
<atom elementType="H" id="a21" x3="1.608178" y3="-1.284592" z3="-3.505221"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0808,.3978,1.6811;1.6995,1.4162,1.6348;.8564,.8611,3.5686;-2.7504,.5757,.3564;-1.8324,-.5392,2.0581;-2.8061,-.1941,1.3343;-3.7752,-.6751,1.5753;1.7738,1.3912,2.9003;2.6581,1.8344,3.4;.4576,.9296,-1.1952;-.263,.0529,-.3591;-.2974,-1.3176,-.6903;1.1143,.4536,-2.3232;1.0768,-.9094,-2.6268;.3681,-1.7954,-1.8145;-.8581,-2.0106,-.0568;.3394,-2.8601,-2.0575;.5042,1.9925,-.9467;-1.4345,.5104,.042;1.6686,1.1426,-2.9646;1.6082,-1.2846,-3.5052;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.080203" y3="0.397059" z3="1.68233"/>
<atom elementType="O" id="a2" x3="1.70659" y3="1.405277" z3="1.640514"/>
<atom elementType="O" id="a3" x3="0.844332" y3="0.87062" z3="3.571509"/>
<atom elementType="O" id="a4" x3="-2.74878" y3="0.563791" z3="0.346194"/>
<atom elementType="O" id="a5" x3="-1.835089" y3="-0.529035" z3="2.064586"/>
<atom elementType="C" id="a6" x3="-2.807565" y3="-0.189529" z3="1.335919"/>
<atom elementType="H" id="a7" x3="-3.779797" y3="-0.657726" z3="1.589639"/>
<atom elementType="C" id="a8" x3="1.769792" y3="1.391044" z3="2.906687"/>
<atom elementType="H" id="a9" x3="2.651475" y3="1.834576" z3="3.410525"/>
<atom elementType="C" id="a10" x3="0.459805" y3="0.928031" z3="-1.196101"/>
<atom elementType="C" id="a11" x3="-0.255423" y3="0.04879" z3="-0.358182"/>
<atom elementType="C" id="a12" x3="-0.290014" y3="-1.321232" z3="-0.690852"/>
<atom elementType="C" id="a13" x3="1.111279" y3="0.454555" z3="-2.328129"/>
<atom elementType="C" id="a14" x3="1.07388" y3="-0.908112" z3="-2.633469"/>
<atom elementType="C" id="a15" x3="0.371079" y3="-1.796554" z3="-1.818542"/>
<atom elementType="H" id="a16" x3="-0.848118" y3="-2.015076" z3="-0.05591"/>
<atom elementType="H" id="a17" x3="0.342704" y3="-2.860872" z3="-2.063181"/>
<atom elementType="H" id="a18" x3="0.505195" y3="1.990738" z3="-0.946457"/>
<atom elementType="H" id="a19" x3="-1.425273" y3="0.501388" z3="0.041528"/>
<atom elementType="H" id="a20" x3="1.660672" y3="1.145176" z3="-2.97189"/>
<atom elementType="H" id="a21" x3="1.600219" y3="-1.281087" z3="-3.515845"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0802,.3971,1.6823;1.7066,1.4053,1.6405;.8443,.8706,3.5715;-2.7488,.5638,.3462;-1.8351,-.529,2.0646;-2.8076,-.1895,1.3359;-3.7798,-.6577,1.5896;1.7698,1.391,2.9067;2.6515,1.8346,3.4105;.4598,.928,-1.1961;-.2554,.0488,-.3582;-.29,-1.3212,-.6909;1.1113,.4546,-2.3281;1.0739,-.9081,-2.6335;.3711,-1.7966,-1.8185;-.8481,-2.0151,-.0559;.3427,-2.8609,-2.0632;.5052,1.9907,-.9465;-1.4253,.5014,.0415;1.6607,1.1452,-2.9719;1.6002,-1.2811,-3.5158;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.079808" y3="0.396317" z3="1.68309"/>
<atom elementType="O" id="a2" x3="1.713877" y3="1.393495" z3="1.645384"/>
<atom elementType="O" id="a3" x3="0.833158" y3="0.87922" z3="3.573567"/>
<atom elementType="O" id="a4" x3="-2.748236" y3="0.552279" z3="0.336663"/>
<atom elementType="O" id="a5" x3="-1.838214" y3="-0.518137" z3="2.071101"/>
<atom elementType="C" id="a6" x3="-2.80976" y3="-0.18425" z3="1.338197"/>
<atom elementType="H" id="a7" x3="-3.785096" y3="-0.638856" z3="1.60473"/>
<atom elementType="C" id="a8" x3="1.766685" y3="1.389617" z3="2.912015"/>
<atom elementType="H" id="a9" x3="2.64626" y3="1.832892" z3="3.419678"/>
<atom elementType="C" id="a10" x3="0.460532" y3="0.92678" z3="-1.19734"/>
<atom elementType="C" id="a11" x3="-0.249263" y3="0.044776" z3="-0.357827"/>
<atom elementType="C" id="a12" x3="-0.282615" y3="-1.324921" z3="-0.691447"/>
<atom elementType="C" id="a13" x3="1.108157" y3="0.45585" z3="-2.332621"/>
<atom elementType="C" id="a14" x3="1.072337" y3="-0.906627" z3="-2.639136"/>
<atom elementType="C" id="a15" x3="0.375433" y3="-1.797699" z3="-1.821959"/>
<atom elementType="H" id="a16" x3="-0.837935" y3="-2.019952" z3="-0.055354"/>
<atom elementType="H" id="a17" x3="0.348476" y3="-2.861777" z3="-2.067755"/>
<atom elementType="H" id="a18" x3="0.503663" y3="1.98944" z3="-0.94707"/>
<atom elementType="H" id="a19" x3="-1.418308" y3="0.492355" z3="0.040272"/>
<atom elementType="H" id="a20" x3="1.652638" y3="1.148341" z3="-2.978544"/>
<atom elementType="H" id="a21" x3="1.594778" y3="-1.27732" z3="-3.52477"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0798,.3963,1.6831;1.7139,1.3935,1.6454;.8332,.8792,3.5736;-2.7482,.5523,.3367;-1.8382,-.5181,2.0711;-2.8098,-.1842,1.3382;-3.7851,-.6389,1.6047;1.7667,1.3896,2.912;2.6463,1.8329,3.4197;.4605,.9268,-1.1973;-.2493,.0448,-.3578;-.2826,-1.3249,-.6914;1.1082,.4558,-2.3326;1.0723,-.9066,-2.6391;.3754,-1.7977,-1.822;-.8379,-2.02,-.0554;.3485,-2.8618,-2.0678;.5037,1.9894,-.9471;-1.4183,.4924,.0403;1.6526,1.1483,-2.9785;1.5948,-1.2773,-3.5248;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.080011" y3="0.395584" z3="1.683468"/>
<atom elementType="O" id="a2" x3="1.721015" y3="1.380694" z3="1.649363"/>
<atom elementType="O" id="a3" x3="0.82311" y3="0.886998" z3="3.574931"/>
<atom elementType="O" id="a4" x3="-2.748327" y3="0.541351" z3="0.32766"/>
<atom elementType="O" id="a5" x3="-1.842153" y3="-0.506751" z3="2.077701"/>
<atom elementType="C" id="a6" x3="-2.812748" y3="-0.178201" z3="1.340801"/>
<atom elementType="H" id="a7" x3="-3.791302" y3="-0.618293" z3="1.619884"/>
<atom elementType="C" id="a8" x3="1.76446" y3="1.38681" z3="2.916205"/>
<atom elementType="H" id="a9" x3="2.642628" y3="1.829152" z3="3.427059"/>
<atom elementType="C" id="a10" x3="0.45977" y3="0.925864" z3="-1.198874"/>
<atom elementType="C" id="a11" x3="-0.244354" y3="0.040914" z3="-0.357751"/>
<atom elementType="C" id="a12" x3="-0.27499" y3="-1.328635" z3="-0.691873"/>
<atom elementType="C" id="a13" x3="1.104711" y3="0.457589" z3="-2.336754"/>
<atom elementType="C" id="a14" x3="1.071971" y3="-0.904864" z3="-2.643852"/>
<atom elementType="C" id="a15" x3="0.381169" y3="-1.798786" z3="-1.824566"/>
<atom elementType="H" id="a16" x3="-0.827204" y3="-2.025177" z3="-0.054721"/>
<atom elementType="H" id="a17" x3="0.356785" y3="-2.86276" z3="-2.071046"/>
<atom elementType="H" id="a18" x3="0.499616" y3="1.988612" z3="-0.948409"/>
<atom elementType="H" id="a19" x3="-1.41307" y3="0.4828" z3="0.038482"/>
<atom elementType="H" id="a20" x3="1.644108" y3="1.15215" z3="-2.98472"/>
<atom elementType="H" id="a21" x3="1.591577" y3="-1.273228" z3="-3.532115"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.08,.3956,1.6835;1.721,1.3807,1.6494;.8231,.887,3.5749;-2.7483,.5414,.3277;-1.8422,-.5068,2.0777;-2.8127,-.1782,1.3408;-3.7913,-.6183,1.6199;1.7645,1.3868,2.9162;2.6426,1.8292,3.4271;.4598,.9259,-1.1989;-.2444,.0409,-.3578;-.275,-1.3286,-.6919;1.1047,.4576,-2.3368;1.072,-.9049,-2.6439;.3812,-1.7988,-1.8246;-.8272,-2.0252,-.0547;.3568,-2.8628,-2.071;.4996,1.9886,-.9484;-1.4131,.4828,.0385;1.6441,1.1522,-2.9847;1.5916,-1.2732,-3.5321;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.080273" y3="0.394961" z3="1.683343"/>
<atom elementType="O" id="a2" x3="1.728452" y3="1.367195" z3="1.652301"/>
<atom elementType="O" id="a3" x3="0.814022" y3="0.893873" z3="3.57522"/>
<atom elementType="O" id="a4" x3="-2.749901" y3="0.530255" z3="0.319196"/>
<atom elementType="O" id="a5" x3="-1.846452" y3="-0.494209" z3="2.084581"/>
<atom elementType="C" id="a6" x3="-2.816441" y3="-0.171486" z3="1.344184"/>
<atom elementType="H" id="a7" x3="-3.797946" y3="-0.596638" z3="1.636019"/>
<atom elementType="C" id="a8" x3="1.763152" y3="1.382821" z3="2.919263"/>
<atom elementType="H" id="a9" x3="2.640302" y3="1.823689" z3="3.433086"/>
<atom elementType="C" id="a10" x3="0.457596" y3="0.925179" z3="-1.200667"/>
<atom elementType="C" id="a11" x3="-0.240964" y3="0.037081" z3="-0.358276"/>
<atom elementType="C" id="a12" x3="-0.267574" y3="-1.332437" z3="-0.692527"/>
<atom elementType="C" id="a13" x3="1.101369" y3="0.459654" z3="-2.340317"/>
<atom elementType="C" id="a14" x3="1.073018" y3="-0.902893" z3="-2.647585"/>
<atom elementType="C" id="a15" x3="0.388074" y3="-1.799857" z3="-1.826642"/>
<atom elementType="H" id="a16" x3="-0.816728" y3="-2.030752" z3="-0.054656"/>
<atom elementType="H" id="a17" x3="0.367225" y3="-2.863809" z3="-2.073515"/>
<atom elementType="H" id="a18" x3="0.493171" y3="1.988119" z3="-0.950345"/>
<atom elementType="H" id="a19" x3="-1.410283" y3="0.47351" z3="0.035887"/>
<atom elementType="H" id="a20" x3="1.635901" y3="1.156442" z3="-2.989926"/>
<atom elementType="H" id="a21" x3="1.591039" y3="-1.268876" z3="-3.537752"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0803,.395,1.6833;1.7285,1.3672,1.6523;.814,.8939,3.5752;-2.7499,.5303,.3192;-1.8465,-.4942,2.0846;-2.8164,-.1715,1.3442;-3.7979,-.5966,1.636;1.7632,1.3828,2.9193;2.6403,1.8237,3.4331;.4576,.9252,-1.2007;-.241,.0371,-.3583;-.2676,-1.3324,-.6925;1.1014,.4597,-2.3403;1.073,-.9029,-2.6476;.3881,-1.7999,-1.8266;-.8167,-2.0308,-.0547;.3672,-2.8638,-2.0735;.4932,1.9881,-.9503;-1.4103,.4735,.0359;1.6359,1.1564,-2.9899;1.591,-1.2689,-3.5378;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.081672" y3="0.39446" z3="1.683133"/>
<atom elementType="O" id="a2" x3="1.735292" y3="1.352392" z3="1.654553"/>
<atom elementType="O" id="a3" x3="0.80623" y3="0.900312" z3="3.57539"/>
<atom elementType="O" id="a4" x3="-2.751294" y3="0.519918" z3="0.31081"/>
<atom elementType="O" id="a5" x3="-1.852036" y3="-0.481377" z3="2.091563"/>
<atom elementType="C" id="a6" x3="-2.820973" y3="-0.164068" z3="1.347223"/>
<atom elementType="H" id="a7" x3="-3.805707" y3="-0.573379" z3="1.650801"/>
<atom elementType="C" id="a8" x3="1.762702" y3="1.377433" z3="2.921314"/>
<atom elementType="H" id="a9" x3="2.639864" y3="1.8160" z3="3.437074"/>
<atom elementType="C" id="a10" x3="0.454105" y3="0.924887" z3="-1.202632"/>
<atom elementType="C" id="a11" x3="-0.238357" y3="0.033542" z3="-0.358597"/>
<atom elementType="C" id="a12" x3="-0.259529" y3="-1.336121" z3="-0.692532"/>
<atom elementType="C" id="a13" x3="1.097319" y3="0.462206" z3="-2.343712"/>
<atom elementType="C" id="a14" x3="1.074752" y3="-0.900572" z3="-2.650513"/>
<atom elementType="C" id="a15" x3="0.396298" y3="-1.800748" z3="-1.827696"/>
<atom elementType="H" id="a16" x3="-0.805005" y3="-2.036509" z3="-0.053771"/>
<atom elementType="H" id="a17" x3="0.380084" y3="-2.864811" z3="-2.074418"/>
<atom elementType="H" id="a18" x3="0.484514" y3="1.988136" z3="-0.952903"/>
<atom elementType="H" id="a19" x3="-1.408106" y3="0.462872" z3="0.03316"/>
<atom elementType="H" id="a20" x3="1.626455" y3="1.161393" z3="-2.99516"/>
<atom elementType="H" id="a21" x3="1.591823" y3="-1.264144" z3="-3.542216"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0817,.3945,1.6831;1.7353,1.3524,1.6546;.8062,.9003,3.5754;-2.7513,.5199,.3108;-1.852,-.4814,2.0916;-2.821,-.1641,1.3472;-3.8057,-.5734,1.6508;1.7627,1.3774,2.9213;2.6399,1.816,3.4371;.4541,.9249,-1.2026;-.2384,.0335,-.3586;-.2595,-1.3361,-.6925;1.0973,.4622,-2.3437;1.0748,-.9006,-2.6505;.3963,-1.8007,-1.8277;-.805,-2.0365,-.0538;.3801,-2.8648,-2.0744;.4845,1.9881,-.9529;-1.4081,.4629,.0332;1.6265,1.1614,-2.9952;1.5918,-1.2641,-3.5422;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.082065" y3="0.394171" z3="1.682135"/>
<atom elementType="O" id="a2" x3="1.743071" y3="1.337914" z3="1.655293"/>
<atom elementType="O" id="a3" x3="0.799371" y3="0.905179" z3="3.573673"/>
<atom elementType="O" id="a4" x3="-2.755915" y3="0.507987" z3="0.303104"/>
<atom elementType="O" id="a5" x3="-1.857144" y3="-0.466139" z3="2.099011"/>
<atom elementType="C" id="a6" x3="-2.826093" y3="-0.156157" z3="1.351929"/>
<atom elementType="H" id="a7" x3="-3.813116" y3="-0.550017" z3="1.668428"/>
<atom elementType="C" id="a8" x3="1.763276" y3="1.37115" z3="2.922131"/>
<atom elementType="H" id="a9" x3="2.64024" y3="1.807156" z3="3.440353"/>
<atom elementType="C" id="a10" x3="0.449305" y3="0.924665" z3="-1.204805"/>
<atom elementType="C" id="a11" x3="-0.237842" y3="0.029823" z3="-0.360169"/>
<atom elementType="C" id="a12" x3="-0.252533" y3="-1.339995" z3="-0.69347"/>
<atom elementType="C" id="a13" x3="1.09424" y3="0.464889" z3="-2.346078"/>
<atom elementType="C" id="a14" x3="1.078452" y3="-0.898168" z3="-2.652275"/>
<atom elementType="C" id="a15" x3="0.40535" y3="-1.801706" z3="-1.828638"/>
<atom elementType="H" id="a16" x3="-0.7951" y3="-2.042593" z3="-0.054627"/>
<atom elementType="H" id="a17" x3="0.394398" y3="-2.865867" z3="-2.075213"/>
<atom elementType="H" id="a18" x3="0.473584" y3="1.98827" z3="-0.955868"/>
<atom elementType="H" id="a19" x3="-1.409978" y3="0.45399" z3="0.028936"/>
<atom elementType="H" id="a20" x3="1.618988" y3="1.166542" z3="-2.998427"/>
<atom elementType="H" id="a21" x3="1.596269" y3="-1.259272" z3="-3.544549"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0821,.3942,1.6821;1.7431,1.3379,1.6553;.7994,.9052,3.5737;-2.7559,.508,.3031;-1.8571,-.4661,2.099;-2.8261,-.1562,1.3519;-3.8131,-.55,1.6684;1.7633,1.3712,2.9221;2.6402,1.8072,3.4404;.4493,.9247,-1.2048;-.2378,.0298,-.3602;-.2525,-1.34,-.6935;1.0942,.4649,-2.3461;1.0785,-.8982,-2.6523;.4053,-1.8017,-1.8286;-.7951,-2.0426,-.0546;.3944,-2.8659,-2.0752;.4736,1.9883,-.9559;-1.41,.454,.0289;1.619,1.1665,-2.9984;1.5963,-1.2593,-3.5445;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.085794" y3="0.394571" z3="1.681635"/>
<atom elementType="O" id="a2" x3="1.748434" y3="1.321426" z3="1.656022"/>
<atom elementType="O" id="a3" x3="0.794878" y3="0.91022" z3="3.573559"/>
<atom elementType="O" id="a4" x3="-2.757277" y3="0.499015" z3="0.294891"/>
<atom elementType="O" id="a5" x3="-1.864868" y3="-0.452855" z3="2.106094"/>
<atom elementType="C" id="a6" x3="-2.832105" y3="-0.147993" z3="1.354024"/>
<atom elementType="H" id="a7" x3="-3.822489" y3="-0.525637" z3="1.679762"/>
<atom elementType="C" id="a8" x3="1.764842" y3="1.363029" z3="2.921997"/>
<atom elementType="H" id="a9" x3="2.644038" y3="1.794827" z3="3.440026"/>
<atom elementType="C" id="a10" x3="0.443276" y3="0.925337" z3="-1.207146"/>
<atom elementType="C" id="a11" x3="-0.237199" y3="0.027363" z3="-0.36022"/>
<atom elementType="C" id="a12" x3="-0.243907" y3="-1.342938" z3="-0.692139"/>
<atom elementType="C" id="a13" x3="1.089136" y3="0.468269" z3="-2.348903"/>
<atom elementType="C" id="a14" x3="1.081593" y3="-0.895269" z3="-2.653227"/>
<atom elementType="C" id="a15" x3="0.415686" y3="-1.802027" z3="-1.827389"/>
<atom elementType="H" id="a16" x3="-0.781944" y3="-2.047958" z3="-0.052137"/>
<atom elementType="H" id="a17" x3="0.411255" y3="-2.866539" z3="-2.072634"/>
<atom elementType="H" id="a18" x3="0.460819" y3="1.989462" z3="-0.959825"/>
<atom elementType="H" id="a19" x3="-1.409441" y3="0.441278" z3="0.025947"/>
<atom elementType="H" id="a20" x3="1.607905" y3="1.172395" z3="-3.003365"/>
<atom elementType="H" id="a21" x3="1.599922" y3="-1.254151" z3="-3.546098"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a11 a19" order="S"/>
<bond atomRefs2="a11 a12" order="S"/>
<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a12 a16" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0858,.3946,1.6816;1.7484,1.3214,1.656;.7949,.9102,3.5736;-2.7573,.499,.2949;-1.8649,-.4529,2.1061;-2.8321,-.148,1.354;-3.8225,-.5256,1.6798;1.7648,1.363,2.922;2.644,1.7948,3.44;.4433,.9253,-1.2071;-.2372,.0274,-.3602;-.2439,-1.3429,-.6921;1.0891,.4683,-2.3489;1.0816,-.8953,-2.6532;.4157,-1.802,-1.8274;-.7819,-2.048,-.0521;.4113,-2.8665,-2.0726;.4608,1.9895,-.9598;-1.4094,.4413,.0259;1.6079,1.1724,-3.0034;1.5999,-1.2542,-3.5461;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.085848" y3="0.395869" z3="1.679373"/>
<atom elementType="O" id="a2" x3="1.75713" y3="1.306514" z3="1.65358"/>
<atom elementType="O" id="a3" x3="0.79097" y3="0.912164" z3="3.569047"/>
<atom elementType="O" id="a4" x3="-2.76725" y3="0.486032" z3="0.288557"/>
<atom elementType="O" id="a5" x3="-1.869755" y3="-0.434559" z3="2.113292"/>
<atom elementType="C" id="a6" x3="-2.838615" y3="-0.139764" z3="1.360143"/>
<atom elementType="H" id="a7" x3="-3.829615" y3="-0.504389" z3="1.698767"/>
<atom elementType="C" id="a8" x3="1.768055" y3="1.353995" z3="2.919971"/>
<atom elementType="H" id="a9" x3="2.647863" y3="1.781706" z3="3.440273"/>
<atom elementType="C" id="a10" x3="0.435551" y3="0.925958" z3="-1.209976"/>
<atom elementType="C" id="a11" x3="-0.240608" y3="0.024431" z3="-0.363528"/>
<atom elementType="C" id="a12" x3="-0.238448" y3="-1.34624" z3="-0.693362"/>
<atom elementType="C" id="a13" x3="1.08708" y3="0.471435" z3="-2.349553"/>
<atom elementType="C" id="a14" x3="1.088626" y3="-0.89262" z3="-2.652053"/>
<atom elementType="C" id="a15" x3="0.426546" y3="-1.802674" z3="-1.826528"/>
<atom elementType="H" id="a16" x3="-0.774426" y3="-2.053507" z3="-0.054055"/>
<atom elementType="H" id="a17" x3="0.428965" y3="-2.867419" z3="-2.070782"/>
<atom elementType="H" id="a18" x3="0.445011" y3="1.990626" z3="-0.964482"/>
<atom elementType="H" id="a19" x3="-1.418106" y3="0.435685" z3="0.019632"/>
<atom elementType="H" id="a20" x3="1.602831" y3="1.177899" z3="-3.003883"/>
<atom elementType="H" id="a21" x3="1.610804" y3="-1.249322" z3="-3.543559"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 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 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0858,.3959,1.6794;1.7571,1.3065,1.6536;.791,.9122,3.569;-2.7673,.486,.2886;-1.8698,-.4346,2.1133;-2.8386,-.1398,1.3601;-3.8296,-.5044,1.6988;1.7681,1.354,2.92;2.6479,1.7817,3.4403;.4356,.926,-1.21;-.2406,.0244,-.3635;-.2384,-1.3462,-.6934;1.0871,.4714,-2.3496;1.0886,-.8926,-2.6521;.4265,-1.8027,-1.8265;-.7744,-2.0535,-.0541;.429,-2.8674,-2.0708;.445,1.9906,-.9645;-1.4181,.4357,.0196;1.6028,1.1779,-3.0039;1.6108,-1.2493,-3.5436;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.090293" y3="0.396324" z3="1.678377"/>
<atom elementType="O" id="a2" x3="1.761108" y3="1.291531" z3="1.653879"/>
<atom elementType="O" id="a3" x3="0.788857" y3="0.91354" z3="3.568761"/>
<atom elementType="O" id="a4" x3="-2.766983" y3="0.478008" z3="0.280141"/>
<atom elementType="O" id="a5" x3="-1.878687" y3="-0.419951" z3="2.120379"/>
<atom elementType="C" id="a6" x3="-2.844828" y3="-0.130619" z3="1.361509"/>
<atom elementType="H" id="a7" x3="-3.839423" y3="-0.477922" z3="1.707645"/>
<atom elementType="C" id="a8" x3="1.770514" y3="1.343896" z3="2.91932"/>
<atom elementType="H" id="a9" x3="2.653168" y3="1.766567" z3="3.439036"/>
<atom elementType="C" id="a10" x3="0.427603" y3="0.927097" z3="-1.212903"/>
<atom elementType="C" id="a11" x3="-0.241099" y3="0.022739" z3="-0.363143"/>
<atom elementType="C" id="a12" x3="-0.229154" y3="-1.348587" z3="-0.690918"/>
<atom elementType="C" id="a13" x3="1.080687" y3="0.475172" z3="-2.352529"/>
<atom elementType="C" id="a14" x3="1.0922" y3="-0.889442" z3="-2.652021"/>
<atom elementType="C" id="a15" x3="0.438161" y3="-1.802573" z3="-1.823721"/>
<atom elementType="H" id="a16" x3="-0.75973" y3="-2.058532" z3="-0.050068"/>
<atom elementType="H" id="a17" x3="0.448326" y3="-2.867785" z3="-2.065721"/>
<atom elementType="H" id="a18" x3="0.429236" y3="1.992407" z3="-0.969928"/>
<atom elementType="H" id="a19" x3="-1.418297" y3="0.419967" z3="0.015818"/>
<atom elementType="H" id="a20" x3="1.589777" y3="1.184082" z3="-3.009424"/>
<atom elementType="H" id="a21" x3="1.615614" y3="-1.244096" z3="-3.543617"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a18" order="S"/>
<bond atomRefs2="a10 a11" order="S"/>
<bond atomRefs2="a10 a13" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0903,.3963,1.6784;1.7611,1.2915,1.6539;.7889,.9135,3.5688;-2.767,.478,.2801;-1.8787,-.42,2.1204;-2.8448,-.1306,1.3615;-3.8394,-.4779,1.7076;1.7705,1.3439,2.9193;2.6532,1.7666,3.439;.4276,.9271,-1.2129;-.2411,.0227,-.3631;-.2292,-1.3486,-.6909;1.0807,.4752,-2.3525;1.0922,-.8894,-2.652;.4382,-1.8026,-1.8237;-.7597,-2.0585,-.0501;.4483,-2.8678,-2.0657;.4292,1.9924,-.9699;-1.4183,.42,.0158;1.5898,1.1841,-3.0094;1.6156,-1.2441,-3.5436;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.092159" y3="0.398269" z3="1.676245"/>
<atom elementType="O" id="a2" x3="1.76766" y3="1.275881" z3="1.649585"/>
<atom elementType="O" id="a3" x3="0.788383" y3="0.914298" z3="3.564383"/>
<atom elementType="O" id="a4" x3="-2.778879" y3="0.465117" z3="0.273951"/>
<atom elementType="O" id="a5" x3="-1.885202" y3="-0.401253" z3="2.127233"/>
<atom elementType="C" id="a6" x3="-2.852989" y3="-0.121841" z3="1.366831"/>
<atom elementType="H" id="a7" x3="-3.848154" y3="-0.456345" z3="1.724043"/>
<atom elementType="C" id="a8" x3="1.775356" y3="1.333158" z3="2.915089"/>
<atom elementType="H" id="a9" x3="2.660565" y3="1.750545" z3="3.434685"/>
<atom elementType="C" id="a10" x3="0.418405" y3="0.928039" z3="-1.215568"/>
<atom elementType="C" id="a11" x3="-0.245806" y3="0.019916" z3="-0.366488"/>
<atom elementType="C" id="a12" x3="-0.223346" y3="-1.351827" z3="-0.691359"/>
<atom elementType="C" id="a13" x3="1.07842" y3="0.478801" z3="-2.352263"/>
<atom elementType="C" id="a14" x3="1.100527" y3="-0.886324" z3="-2.649279"/>
<atom elementType="C" id="a15" x3="0.450578" y3="-1.802938" z3="-1.82137"/>
<atom elementType="H" id="a16" x3="-0.751446" y3="-2.06416" z3="-0.051083"/>
<atom elementType="H" id="a17" x3="0.468838" y3="-2.86839" z3="-2.061816"/>
<atom elementType="H" id="a18" x3="0.410879" y3="1.993836" z3="-0.974838"/>
<atom elementType="H" id="a19" x3="-1.428036" y3="0.415555" z3="0.010774"/>
<atom elementType="H" id="a20" x3="1.584323" y3="1.190153" z3="-3.008977"/>
<atom elementType="H" id="a21" x3="1.628844" y3="-1.238667" z3="-3.538903"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0922,.3983,1.6762;1.7677,1.2759,1.6496;.7884,.9143,3.5644;-2.7789,.4651,.274;-1.8852,-.4013,2.1272;-2.853,-.1218,1.3668;-3.8482,-.4563,1.724;1.7754,1.3332,2.9151;2.6606,1.7505,3.4347;.4184,.928,-1.2156;-.2458,.0199,-.3665;-.2233,-1.3518,-.6914;1.0784,.4788,-2.3523;1.1005,-.8863,-2.6493;.4506,-1.8029,-1.8214;-.7514,-2.0642,-.0511;.4688,-2.8684,-2.0618;.4109,1.9938,-.9748;-1.428,.4156,.0108;1.5843,1.1902,-3.009;1.6288,-1.2387,-3.5389;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.095158" y3="0.399783" z3="1.674667"/>
<atom elementType="O" id="a2" x3="1.773024" y3="1.261922" z3="1.649099"/>
<atom elementType="O" id="a3" x3="0.785955" y3="0.913428" z3="3.562029"/>
<atom elementType="O" id="a4" x3="-2.779547" y3="0.456315" z3="0.266553"/>
<atom elementType="O" id="a5" x3="-1.892572" y3="-0.384632" z3="2.134277"/>
<atom elementType="C" id="a6" x3="-2.858317" y3="-0.112876" z3="1.368993"/>
<atom elementType="H" id="a7" x3="-3.855797" y3="-0.432546" z3="1.733208"/>
<atom elementType="C" id="a8" x3="1.777935" y3="1.322625" z3="2.914142"/>
<atom elementType="H" id="a9" x3="2.66468" y3="1.735245" z3="3.434951"/>
<atom elementType="C" id="a10" x3="0.409814" y3="0.929254" z3="-1.218887"/>
<atom elementType="C" id="a11" x3="-0.247539" y3="0.018698" z3="-0.366766"/>
<atom elementType="C" id="a12" x3="-0.215316" y3="-1.353561" z3="-0.689238"/>
<atom elementType="C" id="a13" x3="1.07254" y3="0.482252" z3="-2.354862"/>
<atom elementType="C" id="a14" x3="1.104629" y3="-0.883321" z3="-2.648566"/>
<atom elementType="C" id="a15" x3="0.461638" y3="-1.802542" z3="-1.818305"/>
<atom elementType="H" id="a16" x3="-0.738574" y3="-2.068396" z3="-0.04776"/>
<atom elementType="H" id="a17" x3="0.487424" y3="-2.868389" z3="-2.056312"/>
<atom elementType="H" id="a18" x3="0.394378" y3="1.995644" z3="-0.98103"/>
<atom elementType="H" id="a19" x3="-1.43021" y3="0.401149" z3="0.005982"/>
<atom elementType="H" id="a20" x3="1.57274" y3="1.1957" z3="-3.013671"/>
<atom elementType="H" id="a21" x3="1.635032" y3="-1.233929" z3="-3.53763"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.098403" y3="0.401391" z3="1.673076"/>
<atom elementType="O" id="a2" x3="1.776449" y3="1.248302" z3="1.644795"/>
<atom elementType="O" id="a3" x3="0.788335" y3="0.912971" z3="3.559519"/>
<atom elementType="O" id="a4" x3="-2.789487" y3="0.444585" z3="0.26085"/>
<atom elementType="O" id="a5" x3="-1.899944" y3="-0.367859" z3="2.140451"/>
<atom elementType="C" id="a6" x3="-2.866346" y3="-0.105175" z3="1.372652"/>
<atom elementType="H" id="a7" x3="-3.86465" y3="-0.413403" z3="1.744614"/>
<atom elementType="C" id="a8" x3="1.782886" y3="1.312436" z3="2.909632"/>
<atom elementType="H" id="a9" x3="2.672968" y3="1.720521" z3="3.428343"/>
<atom elementType="C" id="a10" x3="0.401536" y3="0.930302" z3="-1.221104"/>
<atom elementType="C" id="a11" x3="-0.251615" y3="0.016643" z3="-0.369137"/>
<atom elementType="C" id="a12" x3="-0.209744" y3="-1.355957" z3="-0.688851"/>
<atom elementType="C" id="a13" x3="1.070235" y3="0.485622" z3="-2.354456"/>
<atom elementType="C" id="a14" x3="1.111962" y3="-0.880307" z3="-2.645642"/>
<atom elementType="C" id="a15" x3="0.472928" y3="-1.802442" z3="-1.815435"/>
<atom elementType="H" id="a16" x3="-0.73046" y3="-2.072849" z3="-0.0476"/>
<atom elementType="H" id="a17" x3="0.506075" y3="-2.868456" z3="-2.051762"/>
<atom elementType="H" id="a18" x3="0.377968" y3="1.997031" z3="-0.985473"/>
<atom elementType="H" id="a19" x3="-1.437963" y3="0.396267" z3="0.002697"/>
<atom elementType="H" id="a20" x3="1.567357" y3="1.201113" z3="-3.013378"/>
<atom elementType="H" id="a21" x3="1.646673" y3="-1.228913" z3="-3.532917"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0984,.4014,1.6731;1.7764,1.2483,1.6448;.7883,.913,3.5595;-2.7895,.4446,.2609;-1.8999,-.3679,2.1405;-2.8663,-.1052,1.3727;-3.8647,-.4134,1.7446;1.7829,1.3124,2.9096;2.673,1.7205,3.4283;.4015,.9303,-1.2211;-.2516,.0166,-.3691;-.2097,-1.356,-.6889;1.0702,.4856,-2.3545;1.112,-.8803,-2.6456;.4729,-1.8024,-1.8154;-.7305,-2.0728,-.0476;.5061,-2.8685,-2.0518;.378,1.997,-.9855;-1.438,.3963,.0027;1.5674,1.2011,-3.0134;1.6467,-1.2289,-3.5329;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.099193" y3="0.401747" z3="1.672345"/>
<atom elementType="O" id="a2" x3="1.780716" y3="1.239194" z3="1.64424"/>
<atom elementType="O" id="a3" x3="0.785774" y3="0.911741" z3="3.557066"/>
<atom elementType="O" id="a4" x3="-2.788856" y3="0.437625" z3="0.25614"/>
<atom elementType="O" id="a5" x3="-1.904258" y3="-0.355398" z3="2.145647"/>
<atom elementType="C" id="a6" x3="-2.868976" y3="-0.098781" z3="1.37463"/>
<atom elementType="H" id="a7" x3="-3.868684" y3="-0.396909" z3="1.751027"/>
<atom elementType="C" id="a8" x3="1.783775" y3="1.306498" z3="2.909158"/>
<atom elementType="H" id="a9" x3="2.673087" y3="1.713799" z3="3.429746"/>
<atom elementType="C" id="a10" x3="0.396311" y3="0.930382" z3="-1.222578"/>
<atom elementType="C" id="a11" x3="-0.252508" y3="0.01491" z3="-0.369106"/>
<atom elementType="C" id="a12" x3="-0.204944" y3="-1.357698" z3="-0.68818"/>
<atom elementType="C" id="a13" x3="1.06662" y3="0.487638" z3="-2.355771"/>
<atom elementType="C" id="a14" x3="1.114215" y3="-0.878284" z3="-2.645728"/>
<atom elementType="C" id="a15" x3="0.479288" y3="-1.802297" z3="-1.814564"/>
<atom elementType="H" id="a16" x3="-0.722679" y3="-2.076442" z3="-0.046586"/>
<atom elementType="H" id="a17" x3="0.516705" y3="-2.868357" z3="-2.050058"/>
<atom elementType="H" id="a18" x3="0.368101" y3="1.997289" z3="-0.98815"/>
<atom elementType="H" id="a19" x3="-1.43822" y3="0.385892" z3="0.000006"/>
<atom elementType="H" id="a20" x3="1.560398" y3="1.204675" z3="-3.015531"/>
<atom elementType="H" id="a21" x3="1.650089" y3="-1.225403" z3="-3.532879"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0992,.4017,1.6723;1.7807,1.2392,1.6442;.7858,.9117,3.5571;-2.7889,.4376,.2561;-1.9043,-.3554,2.1456;-2.869,-.0988,1.3746;-3.8687,-.3969,1.751;1.7838,1.3065,2.9092;2.6731,1.7138,3.4297;.3963,.9304,-1.2226;-.2525,.0149,-.3691;-.2049,-1.3577,-.6882;1.0666,.4876,-2.3558;1.1142,-.8783,-2.6457;.4793,-1.8023,-1.8146;-.7227,-2.0764,-.0466;.5167,-2.8684,-2.0501;.3681,1.9973,-.9881;-1.4382,.3859,0;1.5604,1.2047,-3.0155;1.6501,-1.2254,-3.5329;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102115" y3="0.401824" z3="1.67222"/>
<atom elementType="O" id="a2" x3="1.781586" y3="1.229243" z3="1.641451"/>
<atom elementType="O" id="a3" x3="0.788167" y3="0.913844" z3="3.556615"/>
<atom elementType="O" id="a4" x3="-2.795014" y3="0.428359" z3="0.252548"/>
<atom elementType="O" id="a5" x3="-1.909517" y3="-0.345463" z3="2.150657"/>
<atom elementType="C" id="a6" x3="-2.874369" y3="-0.095029" z3="1.37662"/>
<atom elementType="H" id="a7" x3="-3.874542" y3="-0.387525" z3="1.756471"/>
<atom elementType="C" id="a8" x3="1.786729" y3="1.301604" z3="2.905596"/>
<atom elementType="H" id="a9" x3="2.678427" y3="1.70812" z3="3.422753"/>
<atom elementType="C" id="a10" x3="0.393002" y3="0.930869" z3="-1.222857"/>
<atom elementType="C" id="a11" x3="-0.25429" y3="0.013612" z3="-0.370175"/>
<atom elementType="C" id="a12" x3="-0.202362" y3="-1.358988" z3="-0.688469"/>
<atom elementType="C" id="a13" x3="1.066441" y3="0.489577" z3="-2.354697"/>
<atom elementType="C" id="a14" x3="1.118329" y3="-0.876366" z3="-2.644128"/>
<atom elementType="C" id="a15" x3="0.484844" y3="-1.802007" z3="-1.813648"/>
<atom elementType="H" id="a16" x3="-0.719412" y3="-2.078763" z3="-0.047522"/>
<atom elementType="H" id="a17" x3="0.525506" y3="-2.867999" z3="-2.048878"/>
<atom elementType="H" id="a18" x3="0.361086" y3="1.997783" z3="-0.989016"/>
<atom elementType="H" id="a19" x3="-1.441203" y3="0.383581" z3="-0.000114"/>
<atom elementType="H" id="a20" x3="1.559137" y3="1.207729" z3="-3.014051"/>
<atom elementType="H" id="a21" x3="1.65633" y3="-1.222183" z3="-3.530502"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1021,.4018,1.6722;1.7816,1.2292,1.6415;.7882,.9138,3.5566;-2.795,.4284,.2525;-1.9095,-.3455,2.1507;-2.8744,-.095,1.3766;-3.8745,-.3875,1.7565;1.7867,1.3016,2.9056;2.6784,1.7081,3.4228;.393,.9309,-1.2229;-.2543,.0136,-.3702;-.2024,-1.359,-.6885;1.0664,.4896,-2.3547;1.1183,-.8764,-2.6441;.4848,-1.802,-1.8136;-.7194,-2.0788,-.0475;.5255,-2.868,-2.0489;.3611,1.9978,-.989;-1.4412,.3836,-.0001;1.5591,1.2077,-3.0141;1.6563,-1.2222,-3.5305;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101161" y3="0.400433" z3="1.672329"/>
<atom elementType="O" id="a2" x3="1.784158" y3="1.2251" z3="1.64062"/>
<atom elementType="O" id="a3" x3="0.785566" y3="0.913575" z3="3.554661"/>
<atom elementType="O" id="a4" x3="-2.793619" y3="0.423626" z3="0.25053"/>
<atom elementType="O" id="a5" x3="-1.911402" y3="-0.338092" z3="2.153636"/>
<atom elementType="C" id="a6" x3="-2.875027" y3="-0.091494" z3="1.378539"/>
<atom elementType="H" id="a7" x3="-3.875894" y3="-0.377812" z3="1.761195"/>
<atom elementType="C" id="a8" x3="1.786112" y3="1.300024" z3="2.905514"/>
<atom elementType="H" id="a9" x3="2.675843" y3="1.708751" z3="3.424229"/>
<atom elementType="C" id="a10" x3="0.391325" y3="0.930191" z3="-1.222606"/>
<atom elementType="C" id="a11" x3="-0.254332" y3="0.011692" z3="-0.37001"/>
<atom elementType="C" id="a12" x3="-0.200674" y3="-1.360599" z3="-0.689246"/>
<atom elementType="C" id="a13" x3="1.065284" y3="0.490402" z3="-2.354783"/>
<atom elementType="C" id="a14" x3="1.119085" y3="-0.875281" z3="-2.644863"/>
<atom elementType="C" id="a15" x3="0.486933" y3="-1.80214" z3="-1.814751"/>
<atom elementType="H" id="a16" x3="-0.716799" y3="-2.081501" z3="-0.048827"/>
<atom elementType="H" id="a17" x3="0.528857" y3="-2.867956" z3="-2.050568"/>
<atom elementType="H" id="a18" x3="0.357931" y3="1.996988" z3="-0.988366"/>
<atom elementType="H" id="a19" x3="-1.439711" y3="0.376299" z3="-0.001015"/>
<atom elementType="H" id="a20" x3="1.556878" y3="1.209565" z3="-3.013863"/>
<atom elementType="H" id="a21" x3="1.657408" y3="-1.21995" z3="-3.531484"/>
</atomArray>
<bondArray>
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<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"/>
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<bond atomRefs2="a12 a15" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1012,.4004,1.6723;1.7842,1.2251,1.6406;.7856,.9136,3.5547;-2.7936,.4236,.2505;-1.9114,-.3381,2.1536;-2.875,-.0915,1.3785;-3.8759,-.3778,1.7612;1.7861,1.3,2.9055;2.6758,1.7088,3.4242;.3913,.9302,-1.2226;-.2543,.0117,-.37;-.2007,-1.3606,-.6892;1.0653,.4904,-2.3548;1.1191,-.8753,-2.6449;.4869,-1.8021,-1.8148;-.7168,-2.0815,-.0488;.5289,-2.868,-2.0506;.3579,1.997,-.9884;-1.4397,.3763,-.001;1.5569,1.2096,-3.0139;1.6574,-1.22,-3.5315;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103629" y3="0.400702" z3="1.672428"/>
<atom elementType="O" id="a2" x3="1.783899" y3="1.219404" z3="1.638974"/>
<atom elementType="O" id="a3" x3="0.787646" y3="0.916158" z3="3.554215"/>
<atom elementType="O" id="a4" x3="-2.797036" y3="0.417244" z3="0.249224"/>
<atom elementType="O" id="a5" x3="-1.913732" y3="-0.334009" z3="2.15806"/>
<atom elementType="C" id="a6" x3="-2.877747" y3="-0.091166" z3="1.379887"/>
<atom elementType="H" id="a7" x3="-3.878463" y3="-0.377178" z3="1.763438"/>
<atom elementType="C" id="a8" x3="1.78773" y3="1.29889" z3="2.90233"/>
<atom elementType="H" id="a9" x3="2.678699" y3="1.708758" z3="3.418045"/>
<atom elementType="C" id="a10" x3="0.391156" y3="0.930601" z3="-1.222062"/>
<atom elementType="C" id="a11" x3="-0.255655" y3="0.011702" z3="-0.370744"/>
<atom elementType="C" id="a12" x3="-0.201425" y3="-1.360469" z3="-0.690373"/>
<atom elementType="C" id="a13" x3="1.067094" y3="0.491183" z3="-2.35314"/>
<atom elementType="C" id="a14" x3="1.121436" y3="-0.874423" z3="-2.643631"/>
<atom elementType="C" id="a15" x3="0.487973" y3="-1.801605" z3="-1.814927"/>
<atom elementType="H" id="a16" x3="-0.718787" y3="-2.081522" z3="-0.051173"/>
<atom elementType="H" id="a17" x3="0.530124" y3="-2.867315" z3="-2.051149"/>
<atom elementType="H" id="a18" x3="0.357205" y3="1.997328" z3="-0.987655"/>
<atom elementType="H" id="a19" x3="-1.440604" y3="0.375702" z3="-0.000115"/>
<atom elementType="H" id="a20" x3="1.55973" y3="1.21056" z3="-3.011206"/>
<atom elementType="H" id="a21" x3="1.661145" y3="-1.218726" z3="-3.529551"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1036,.4007,1.6724;1.7839,1.2194,1.639;.7876,.9162,3.5542;-2.797,.4172,.2492;-1.9137,-.334,2.1581;-2.8777,-.0912,1.3799;-3.8785,-.3772,1.7634;1.7877,1.2989,2.9023;2.6787,1.7088,3.418;.3912,.9306,-1.2221;-.2557,.0117,-.3707;-.2014,-1.3605,-.6904;1.0671,.4912,-2.3531;1.1214,-.8744,-2.6436;.488,-1.8016,-1.8149;-.7188,-2.0815,-.0512;.5301,-2.8673,-2.0511;.3572,1.9973,-.9877;-1.4406,.3757,-.0001;1.5597,1.2106,-3.0112;1.6611,-1.2187,-3.5296;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102058" y3="0.39861" z3="1.672489"/>
<atom elementType="O" id="a2" x3="1.785904" y3="1.216525" z3="1.637878"/>
<atom elementType="O" id="a3" x3="0.785827" y3="0.916055" z3="3.553113"/>
<atom elementType="O" id="a4" x3="-2.797229" y3="0.415248" z3="0.248783"/>
<atom elementType="O" id="a5" x3="-1.914865" y3="-0.329305" z3="2.158628"/>
<atom elementType="C" id="a6" x3="-2.878421" y3="-0.088729" z3="1.381438"/>
<atom elementType="H" id="a7" x3="-3.879244" y3="-0.371445" z3="1.767089"/>
<atom elementType="C" id="a8" x3="1.787157" y3="1.298087" z3="2.902511"/>
<atom elementType="H" id="a9" x3="2.676273" y3="1.710701" z3="3.419181"/>
<atom elementType="C" id="a10" x3="0.390326" y3="0.929971" z3="-1.221779"/>
<atom elementType="C" id="a11" x3="-0.255616" y3="0.010087" z3="-0.370913"/>
<atom elementType="C" id="a12" x3="-0.200454" y3="-1.361846" z3="-0.691195"/>
<atom elementType="C" id="a13" x3="1.066567" y3="0.491612" z3="-2.35311"/>
<atom elementType="C" id="a14" x3="1.121976" y3="-0.873823" z3="-2.644237"/>
<atom elementType="C" id="a15" x3="0.489273" y3="-1.801917" z3="-1.815968"/>
<atom elementType="H" id="a16" x3="-0.717409" y3="-2.083527" z3="-0.052378"/>
<atom elementType="H" id="a17" x3="0.532225" y3="-2.867478" z3="-2.052727"/>
<atom elementType="H" id="a18" x3="0.355573" y3="1.996555" z3="-0.986806"/>
<atom elementType="H" id="a19" x3="-1.439555" y3="0.372062" z3="0.000104"/>
<atom elementType="H" id="a20" x3="1.558604" y3="1.211667" z3="-3.010883"/>
<atom elementType="H" id="a21" x3="1.661905" y3="-1.217289" z3="-3.530347"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1021,.3986,1.6725;1.7859,1.2165,1.6379;.7858,.9161,3.5531;-2.7972,.4152,.2488;-1.9149,-.3293,2.1586;-2.8784,-.0887,1.3814;-3.8792,-.3714,1.7671;1.7872,1.2981,2.9025;2.6763,1.7107,3.4192;.3903,.93,-1.2218;-.2556,.0101,-.3709;-.2005,-1.3618,-.6912;1.0666,.4916,-2.3531;1.122,-.8738,-2.6442;.4893,-1.8019,-1.816;-.7174,-2.0835,-.0524;.5322,-2.8675,-2.0527;.3556,1.9966,-.9868;-1.4396,.3721,.0001;1.5586,1.2117,-3.0109;1.6619,-1.2173,-3.5303;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103765" y3="0.399073" z3="1.672932"/>
<atom elementType="O" id="a2" x3="1.784915" y3="1.21567" z3="1.637522"/>
<atom elementType="O" id="a3" x3="0.787395" y3="0.917794" z3="3.552613"/>
<atom elementType="O" id="a4" x3="-2.797459" y3="0.411117" z3="0.248588"/>
<atom elementType="O" id="a5" x3="-1.914916" y3="-0.329186" z3="2.162393"/>
<atom elementType="C" id="a6" x3="-2.878569" y3="-0.090294" z3="1.382268"/>
<atom elementType="H" id="a7" x3="-3.879211" y3="-0.374312" z3="1.76759"/>
<atom elementType="C" id="a8" x3="1.787661" y3="1.299618" z3="2.900345"/>
<atom elementType="H" id="a9" x3="2.676669" y3="1.714665" z3="3.415258"/>
<atom elementType="C" id="a10" x3="0.392007" y3="0.929979" z3="-1.220524"/>
<atom elementType="C" id="a11" x3="-0.256464" y3="0.010511" z3="-0.371064"/>
<atom elementType="C" id="a12" x3="-0.20312" y3="-1.361171" z3="-0.692769"/>
<atom elementType="C" id="a13" x3="1.069148" y3="0.491537" z3="-2.35127"/>
<atom elementType="C" id="a14" x3="1.122686" y3="-0.873673" z3="-2.643619"/>
<atom elementType="C" id="a15" x3="0.487233" y3="-1.801372" z3="-1.817085"/>
<atom elementType="H" id="a16" x3="-0.722121" y3="-2.082711" z3="-0.055482"/>
<atom elementType="H" id="a17" x3="0.528457" y3="-2.866775" z3="-2.054843"/>
<atom elementType="H" id="a18" x3="0.35872" y3="1.996437" z3="-0.9848"/>
<atom elementType="H" id="a19" x3="-1.439046" y3="0.370752" z3="-0.000201"/>
<atom elementType="H" id="a20" x3="1.563314" y3="1.211396" z3="-3.00766"/>
<atom elementType="H" id="a21" x3="1.663225" y3="-1.21723" z3="-3.529318"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1038,.3991,1.6729;1.7849,1.2157,1.6375;.7874,.9178,3.5526;-2.7975,.4111,.2486;-1.9149,-.3292,2.1624;-2.8786,-.0903,1.3823;-3.8792,-.3743,1.7676;1.7877,1.2996,2.9003;2.6767,1.7147,3.4153;.392,.93,-1.2205;-.2565,.0105,-.3711;-.2031,-1.3612,-.6928;1.0691,.4915,-2.3513;1.1227,-.8737,-2.6436;.4872,-1.8014,-1.8171;-.7221,-2.0827,-.0555;.5285,-2.8668,-2.0548;.3587,1.9964,-.9848;-1.439,.3708,-.0002;1.5633,1.2114,-3.0077;1.6632,-1.2172,-3.5293;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101961" y3="0.397272" z3="1.672451"/>
<atom elementType="O" id="a2" x3="1.787049" y3="1.212817" z3="1.636988"/>
<atom elementType="O" id="a3" x3="0.785731" y3="0.916993" z3="3.552147"/>
<atom elementType="O" id="a4" x3="-2.799011" y3="0.412881" z3="0.249538"/>
<atom elementType="O" id="a5" x3="-1.915271" y3="-0.327098" z3="2.160886"/>
<atom elementType="C" id="a6" x3="-2.879329" y3="-0.088335" z3="1.383204"/>
<atom elementType="H" id="a7" x3="-3.879696" y3="-0.371607" z3="1.769798"/>
<atom elementType="C" id="a8" x3="1.787068" y3="1.29857" z3="2.90118"/>
<atom elementType="H" id="a9" x3="2.674244" y3="1.71609" z3="3.417227"/>
<atom elementType="C" id="a10" x3="0.391149" y3="0.929559" z3="-1.221154"/>
<atom elementType="C" id="a11" x3="-0.256179" y3="0.009371" z3="-0.371644"/>
<atom elementType="C" id="a12" x3="-0.201718" y3="-1.362308" z3="-0.693073"/>
<atom elementType="C" id="a13" x3="1.068325" y3="0.491645" z3="-2.352048"/>
<atom elementType="C" id="a14" x3="1.123051" y3="-0.873609" z3="-2.644285"/>
<atom elementType="C" id="a15" x3="0.488816" y3="-1.801946" z3="-1.817514"/>
<atom elementType="H" id="a16" x3="-0.720052" y3="-2.08404" z3="-0.055471"/>
<atom elementType="H" id="a17" x3="0.531081" y3="-2.86732" z3="-2.055214"/>
<atom elementType="H" id="a18" x3="0.356853" y3="1.995973" z3="-0.98537"/>
<atom elementType="H" id="a19" x3="-1.438565" y3="0.371743" z3="0.002113"/>
<atom elementType="H" id="a20" x3="1.561552" y3="1.211872" z3="-3.008736"/>
<atom elementType="H" id="a21" x3="1.66362" y3="-1.2167" z3="-3.53015"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.102,.3973,1.6725;1.787,1.2128,1.637;.7857,.917,3.5521;-2.799,.4129,.2495;-1.9153,-.3271,2.1609;-2.8793,-.0883,1.3832;-3.8797,-.3716,1.7698;1.7871,1.2986,2.9012;2.6742,1.7161,3.4172;.3911,.9296,-1.2212;-.2562,.0094,-.3716;-.2017,-1.3623,-.6931;1.0683,.4916,-2.352;1.1231,-.8736,-2.6443;.4888,-1.8019,-1.8175;-.7201,-2.084,-.0555;.5311,-2.8673,-2.0552;.3569,1.996,-.9854;-1.4386,.3717,.0021;1.5616,1.2119,-3.0087;1.6636,-1.2167,-3.5301;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103007" y3="0.397195" z3="1.673384"/>
<atom elementType="O" id="a2" x3="1.785454" y3="1.215027" z3="1.637855"/>
<atom elementType="O" id="a3" x3="0.787498" y3="0.917134" z3="3.552858"/>
<atom elementType="O" id="a4" x3="-2.796709" y3="0.410545" z3="0.249124"/>
<atom elementType="O" id="a5" x3="-1.914653" y3="-0.329107" z3="2.163052"/>
<atom elementType="C" id="a6" x3="-2.878076" y3="-0.090124" z3="1.383155"/>
<atom elementType="H" id="a7" x3="-3.878698" y3="-0.373498" z3="1.768981"/>
<atom elementType="C" id="a8" x3="1.787206" y3="1.300574" z3="2.900706"/>
<atom elementType="H" id="a9" x3="2.67371" y3="1.721018" z3="3.415564"/>
<atom elementType="C" id="a10" x3="0.393162" y3="0.929509" z3="-1.219782"/>
<atom elementType="C" id="a11" x3="-0.256216" y3="0.009977" z3="-0.371115"/>
<atom elementType="C" id="a12" x3="-0.204112" y3="-1.361449" z3="-0.693856"/>
<atom elementType="C" id="a13" x3="1.069994" y3="0.491332" z3="-2.350831"/>
<atom elementType="C" id="a14" x3="1.122326" y3="-0.873685" z3="-2.644229"/>
<atom elementType="C" id="a15" x3="0.485949" y3="-1.801407" z3="-1.818461"/>
<atom elementType="H" id="a16" x3="-0.72381" y3="-2.083057" z3="-0.057219"/>
<atom elementType="H" id="a17" x3="0.526226" y3="-2.866671" z3="-2.057005"/>
<atom elementType="H" id="a18" x3="0.360902" y3="1.995809" z3="-0.983205"/>
<atom elementType="H" id="a19" x3="-1.437915" y3="0.368509" z3="-0.001367"/>
<atom elementType="H" id="a20" x3="1.564885" y3="1.211257" z3="-3.006605"/>
<atom elementType="H" id="a21" x3="1.662641" y3="-1.217065" z3="-3.530131"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.103,.3972,1.6734;1.7855,1.215,1.6379;.7875,.9171,3.5529;-2.7967,.4105,.2491;-1.9147,-.3291,2.1631;-2.8781,-.0901,1.3832;-3.8787,-.3735,1.769;1.7872,1.3006,2.9007;2.6737,1.721,3.4156;.3932,.9295,-1.2198;-.2562,.01,-.3711;-.2041,-1.3614,-.6939;1.07,.4913,-2.3508;1.1223,-.8737,-2.6442;.4859,-1.8014,-1.8185;-.7238,-2.0831,-.0572;.5262,-2.8667,-2.057;.3609,1.9958,-.9832;-1.4379,.3685,-.0014;1.5649,1.2113,-3.0066;1.6626,-1.2171,-3.5301;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101224" y3="0.396411" z3="1.672617"/>
<atom elementType="O" id="a2" x3="1.787397" y3="1.2135" z3="1.638097"/>
<atom elementType="O" id="a3" x3="0.78543" y3="0.91579" z3="3.552193"/>
<atom elementType="O" id="a4" x3="-2.797969" y3="0.414493" z3="0.250921"/>
<atom elementType="O" id="a5" x3="-1.913897" y3="-0.329491" z3="2.160968"/>
<atom elementType="C" id="a6" x3="-2.878158" y3="-0.088935" z3="1.383574"/>
<atom elementType="H" id="a7" x3="-3.878578" y3="-0.37252" z3="1.769828"/>
<atom elementType="C" id="a8" x3="1.786107" y3="1.300318" z3="2.901852"/>
<atom elementType="H" id="a9" x3="2.670427" y3="1.723084" z3="3.418514"/>
<atom elementType="C" id="a10" x3="0.39275" y3="0.928758" z3="-1.220592"/>
<atom elementType="C" id="a11" x3="-0.255518" y3="0.00874" z3="-0.371568"/>
<atom elementType="C" id="a12" x3="-0.202739" y3="-1.362754" z3="-0.694231"/>
<atom elementType="C" id="a13" x3="1.069278" y3="0.490947" z3="-2.351907"/>
<atom elementType="C" id="a14" x3="1.122271" y3="-0.874112" z3="-2.64528"/>
<atom elementType="C" id="a15" x3="0.487012" y3="-1.80232" z3="-1.819158"/>
<atom elementType="H" id="a16" x3="-0.721802" y3="-2.084392" z3="-0.057127"/>
<atom elementType="H" id="a17" x3="0.527835" y3="-2.867543" z3="-2.05778"/>
<atom elementType="H" id="a18" x3="0.359717" y3="1.995043" z3="-0.984048"/>
<atom elementType="H" id="a19" x3="-1.437091" y3="0.372824" z3="0.003611"/>
<atom elementType="H" id="a20" x3="1.563265" y3="1.211123" z3="-3.008079"/>
<atom elementType="H" id="a21" x3="1.662245" y3="-1.217141" z3="-3.531531"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1012,.3964,1.6726;1.7874,1.2135,1.6381;.7854,.9158,3.5522;-2.798,.4145,.2509;-1.9139,-.3295,2.161;-2.8782,-.0889,1.3836;-3.8786,-.3725,1.7698;1.7861,1.3003,2.9019;2.6704,1.7231,3.4185;.3927,.9288,-1.2206;-.2555,.0087,-.3716;-.2027,-1.3628,-.6942;1.0693,.4909,-2.3519;1.1223,-.8741,-2.6453;.487,-1.8023,-1.8192;-.7218,-2.0844,-.0571;.5278,-2.8675,-2.0578;.3597,1.995,-.984;-1.4371,.3728,.0036;1.5633,1.2111,-3.0081;1.6622,-1.2171,-3.5315;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101681" y3="0.395526" z3="1.673616"/>
<atom elementType="O" id="a2" x3="1.786723" y3="1.214404" z3="1.640166"/>
<atom elementType="O" id="a3" x3="0.786713" y3="0.91509" z3="3.554262"/>
<atom elementType="O" id="a4" x3="-2.794667" y3="0.413288" z3="0.249618"/>
<atom elementType="O" id="a5" x3="-1.913589" y3="-0.331512" z3="2.161551"/>
<atom elementType="C" id="a6" x3="-2.87676" y3="-0.089703" z3="1.382706"/>
<atom elementType="H" id="a7" x3="-3.877655" y3="-0.372467" z3="1.768224"/>
<atom elementType="C" id="a8" x3="1.786295" y3="1.30085" z3="2.903188"/>
<atom elementType="H" id="a9" x3="2.669748" y3="1.726248" z3="3.419241"/>
<atom elementType="C" id="a10" x3="0.393967" y3="0.929327" z3="-1.220178"/>
<atom elementType="C" id="a11" x3="-0.25467" y3="0.009924" z3="-0.37088"/>
<atom elementType="C" id="a12" x3="-0.203361" y3="-1.361497" z3="-0.69342"/>
<atom elementType="C" id="a13" x3="1.069001" y3="0.490948" z3="-2.352232"/>
<atom elementType="C" id="a14" x3="1.120564" y3="-0.874112" z3="-2.645653"/>
<atom elementType="C" id="a15" x3="0.48518" y3="-1.801654" z3="-1.818928"/>
<atom elementType="H" id="a16" x3="-0.722294" y3="-2.082951" z3="-0.055977"/>
<atom elementType="H" id="a17" x3="0.525083" y3="-2.866959" z3="-2.057359"/>
<atom elementType="H" id="a18" x3="0.362369" y3="1.995615" z3="-0.983434"/>
<atom elementType="H" id="a19" x3="-1.436875" y3="0.368403" z3="-0.002583"/>
<atom elementType="H" id="a20" x3="1.56313" y3="1.210721" z3="-3.00875"/>
<atom elementType="H" id="a21" x3="1.659539" y3="-1.217665" z3="-3.532303"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1017,.3955,1.6736;1.7867,1.2144,1.6402;.7867,.9151,3.5543;-2.7947,.4133,.2496;-1.9136,-.3315,2.1616;-2.8768,-.0897,1.3827;-3.8777,-.3725,1.7682;1.7863,1.3009,2.9032;2.6697,1.7262,3.4192;.394,.9293,-1.2202;-.2547,.0099,-.3709;-.2034,-1.3615,-.6934;1.069,.4909,-2.3522;1.1206,-.8741,-2.6457;.4852,-1.8017,-1.8189;-.7223,-2.083,-.056;.5251,-2.867,-2.0574;.3624,1.9956,-.9834;-1.4369,.3684,-.0026;1.5631,1.2107,-3.0088;1.6595,-1.2177,-3.5323;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.100324" y3="0.395237" z3="1.673144"/>
<atom elementType="O" id="a2" x3="1.787292" y3="1.215261" z3="1.640285"/>
<atom elementType="O" id="a3" x3="0.785471" y3="0.914062" z3="3.553643"/>
<atom elementType="O" id="a4" x3="-2.795611" y3="0.416679" z3="0.251622"/>
<atom elementType="O" id="a5" x3="-1.912483" y3="-0.333279" z3="2.159834"/>
<atom elementType="C" id="a6" x3="-2.876489" y3="-0.089609" z3="1.383016"/>
<atom elementType="H" id="a7" x3="-3.877467" y3="-0.37193" z3="1.76866"/>
<atom elementType="C" id="a8" x3="1.78513" y3="1.301933" z3="2.903813"/>
<atom elementType="H" id="a9" x3="2.666551" y3="1.73001" z3="3.421076"/>
<atom elementType="C" id="a10" x3="0.394468" y3="0.928009" z3="-1.220114"/>
<atom elementType="C" id="a11" x3="-0.253973" y3="0.008201" z3="-0.370984"/>
<atom elementType="C" id="a12" x3="-0.202905" y3="-1.36318" z3="-0.69457"/>
<atom elementType="C" id="a13" x3="1.069298" y3="0.490198" z3="-2.352471"/>
<atom elementType="C" id="a14" x3="1.120494" y3="-0.874698" z3="-2.646778"/>
<atom elementType="C" id="a15" x3="0.485177" y3="-1.802756" z3="-1.820497"/>
<atom elementType="H" id="a16" x3="-0.721917" y3="-2.084728" z3="-0.057301"/>
<atom elementType="H" id="a17" x3="0.524682" y3="-2.867875" z3="-2.059802"/>
<atom elementType="H" id="a18" x3="0.362817" y3="1.99419" z3="-0.982911"/>
<atom elementType="H" id="a19" x3="-1.435847" y3="0.373535" z3="0.003787"/>
<atom elementType="H" id="a20" x3="1.563318" y3="1.210293" z3="-3.008709"/>
<atom elementType="H" id="a21" x3="1.659078" y3="-1.217729" z3="-3.533872"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1003,.3952,1.6731;1.7873,1.2153,1.6403;.7855,.9141,3.5536;-2.7956,.4167,.2516;-1.9125,-.3333,2.1598;-2.8765,-.0896,1.383;-3.8775,-.3719,1.7687;1.7851,1.3019,2.9038;2.6666,1.73,3.4211;.3945,.928,-1.2201;-.254,.0082,-.371;-.2029,-1.3632,-.6946;1.0693,.4902,-2.3525;1.1205,-.8747,-2.6468;.4852,-1.8028,-1.8205;-.7219,-2.0847,-.0573;.5247,-2.8679,-2.0598;.3628,1.9942,-.9829;-1.4358,.3735,.0038;1.5633,1.2103,-3.0087;1.6591,-1.2177,-3.5339;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.099985" y3="0.394859" z3="1.673336"/>
<atom elementType="O" id="a2" x3="1.788392" y3="1.214294" z3="1.641812"/>
<atom elementType="O" id="a3" x3="0.784822" y3="0.913242" z3="3.554209"/>
<atom elementType="O" id="a4" x3="-2.793359" y3="0.416599" z3="0.250648"/>
<atom elementType="O" id="a5" x3="-1.912039" y3="-0.333731" z3="2.15982"/>
<atom elementType="C" id="a6" x3="-2.875441" y3="-0.089415" z3="1.382417"/>
<atom elementType="H" id="a7" x3="-3.876506" y3="-0.371946" z3="1.76766"/>
<atom elementType="C" id="a8" x3="1.784928" y3="1.301529" z3="2.905127"/>
<atom elementType="H" id="a9" x3="2.665538" y3="1.730172" z3="3.423309"/>
<atom elementType="C" id="a10" x3="0.394506" y3="0.928752" z3="-1.22063"/>
<atom elementType="C" id="a11" x3="-0.25331" y3="0.009332" z3="-0.370729"/>
<atom elementType="C" id="a12" x3="-0.202541" y3="-1.362101" z3="-0.693385"/>
<atom elementType="C" id="a13" x3="1.068198" y3="0.49037" z3="-2.353477"/>
<atom elementType="C" id="a14" x3="1.119224" y3="-0.874694" z3="-2.647066"/>
<atom elementType="C" id="a15" x3="0.484703" y3="-1.802261" z3="-1.81968"/>
<atom elementType="H" id="a16" x3="-0.720854" y3="-2.083439" z3="-0.055305"/>
<atom elementType="H" id="a17" x3="0.524248" y3="-2.86755" z3="-2.058245"/>
<atom elementType="H" id="a18" x3="0.363217" y3="1.995026" z3="-0.983762"/>
<atom elementType="H" id="a19" x3="-1.435717" y3="0.370896" z3="-0.000259"/>
<atom elementType="H" id="a20" x3="1.561631" y3="1.210122" z3="-3.010539"/>
<atom elementType="H" id="a21" x3="1.657103" y3="-1.218234" z3="-3.534388"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1,.3949,1.6733;1.7884,1.2143,1.6418;.7848,.9132,3.5542;-2.7934,.4166,.2506;-1.912,-.3337,2.1598;-2.8754,-.0894,1.3824;-3.8765,-.3719,1.7677;1.7849,1.3015,2.9051;2.6655,1.7302,3.4233;.3945,.9288,-1.2206;-.2533,.0093,-.3707;-.2025,-1.3621,-.6934;1.0682,.4904,-2.3535;1.1192,-.8747,-2.6471;.4847,-1.8023,-1.8197;-.7209,-2.0834,-.0553;.5242,-2.8676,-2.0582;.3632,1.995,-.9838;-1.4357,.3709,-.0003;1.5616,1.2101,-3.0105;1.6571,-1.2182,-3.5344;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.099801" y3="0.394471" z3="1.673229"/>
<atom elementType="O" id="a2" x3="1.787793" y3="1.214431" z3="1.641682"/>
<atom elementType="O" id="a3" x3="0.78548" y3="0.91459" z3="3.555155"/>
<atom elementType="O" id="a4" x3="-2.795545" y3="0.418333" z3="0.252435"/>
<atom elementType="O" id="a5" x3="-1.91201" y3="-0.334936" z3="2.158839"/>
<atom elementType="C" id="a6" x3="-2.876223" y3="-0.089833" z3="1.382751"/>
<atom elementType="H" id="a7" x3="-3.877477" y3="-0.371744" z3="1.767906"/>
<atom elementType="C" id="a8" x3="1.784883" y3="1.302513" z3="2.905179"/>
<atom elementType="H" id="a9" x3="2.664612" y3="1.734036" z3="3.422513"/>
<atom elementType="C" id="a10" x3="0.395213" y3="0.927349" z3="-1.22015"/>
<atom elementType="C" id="a11" x3="-0.253197" y3="0.007433" z3="-0.371042"/>
<atom elementType="C" id="a12" x3="-0.202568" y3="-1.363995" z3="-0.695187"/>
<atom elementType="C" id="a13" x3="1.069236" y3="0.489728" z3="-2.353045"/>
<atom elementType="C" id="a14" x3="1.119805" y3="-0.875082" z3="-2.647907"/>
<atom elementType="C" id="a15" x3="0.484787" y3="-1.803372" z3="-1.821582"/>
<atom elementType="H" id="a16" x3="-0.72143" y3="-2.085514" z3="-0.057735"/>
<atom elementType="H" id="a17" x3="0.524011" y3="-2.868406" z3="-2.061309"/>
<atom elementType="H" id="a18" x3="0.36401" y3="1.993455" z3="-0.982577"/>
<atom elementType="H" id="a19" x3="-1.43556" y3="0.376332" z3="0.00658"/>
<atom elementType="H" id="a20" x3="1.563049" y3="1.209909" z3="-3.00934"/>
<atom elementType="H" id="a21" x3="1.657692" y3="-1.217877" z3="-3.53552"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0998,.3945,1.6732;1.7878,1.2144,1.6417;.7855,.9146,3.5552;-2.7955,.4183,.2524;-1.912,-.3349,2.1588;-2.8762,-.0898,1.3828;-3.8775,-.3717,1.7679;1.7849,1.3025,2.9052;2.6646,1.734,3.4225;.3952,.9273,-1.2202;-.2532,.0074,-.371;-.2026,-1.364,-.6952;1.0692,.4897,-2.353;1.1198,-.8751,-2.6479;.4848,-1.8034,-1.8216;-.7214,-2.0855,-.0577;.524,-2.8684,-2.0613;.364,1.9935,-.9826;-1.4356,.3763,.0066;1.563,1.2099,-3.0093;1.6577,-1.2179,-3.5355;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.098772" y3="0.394228" z3="1.673496"/>
<atom elementType="O" id="a2" x3="1.789183" y3="1.21528" z3="1.643068"/>
<atom elementType="O" id="a3" x3="0.784334" y3="0.911681" z3="3.554226"/>
<atom elementType="O" id="a4" x3="-2.791848" y3="0.417935" z3="0.251358"/>
<atom elementType="O" id="a5" x3="-1.910704" y3="-0.335978" z3="2.158903"/>
<atom elementType="C" id="a6" x3="-2.874063" y3="-0.090025" z3="1.382295"/>
<atom elementType="H" id="a7" x3="-3.875429" y3="-0.371878" z3="1.767143"/>
<atom elementType="C" id="a8" x3="1.784097" y3="1.302743" z3="2.906318"/>
<atom elementType="H" id="a9" x3="2.661648" y3="1.73611" z3="3.425739"/>
<atom elementType="C" id="a10" x3="0.39583" y3="0.928054" z3="-1.220175"/>
<atom elementType="C" id="a11" x3="-0.252219" y3="0.008762" z3="-0.370308"/>
<atom elementType="C" id="a12" x3="-0.202864" y3="-1.362542" z3="-0.69389"/>
<atom elementType="C" id="a13" x3="1.068453" y3="0.489727" z3="-2.353717"/>
<atom elementType="C" id="a14" x3="1.118012" y3="-0.875169" z3="-2.648186"/>
<atom elementType="C" id="a15" x3="0.483172" y3="-1.802649" z3="-1.820911"/>
<atom elementType="H" id="a16" x3="-0.721308" y3="-2.083805" z3="-0.055821"/>
<atom elementType="H" id="a17" x3="0.521531" y3="-2.867825" z3="-2.060176"/>
<atom elementType="H" id="a18" x3="0.365607" y3="1.99424" z3="-0.982769"/>
<atom elementType="H" id="a19" x3="-1.434977" y3="0.37215" z3="0.001014"/>
<atom elementType="H" id="a20" x3="1.562125" y3="1.209444" z3="-3.010639"/>
<atom elementType="H" id="a21" x3="1.654951" y3="-1.218664" z3="-3.536095"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0988,.3942,1.6735;1.7892,1.2153,1.6431;.7843,.9117,3.5542;-2.7918,.4179,.2514;-1.9107,-.336,2.1589;-2.8741,-.09,1.3823;-3.8754,-.3719,1.7671;1.7841,1.3027,2.9063;2.6616,1.7361,3.4257;.3958,.9281,-1.2202;-.2522,.0088,-.3703;-.2029,-1.3625,-.6939;1.0685,.4897,-2.3537;1.118,-.8752,-2.6482;.4832,-1.8026,-1.8209;-.7213,-2.0838,-.0558;.5215,-2.8678,-2.0602;.3656,1.9942,-.9828;-1.435,.3721,.001;1.5621,1.2094,-3.0106;1.655,-1.2187,-3.5361;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.099287" y3="0.394192" z3="1.673434"/>
<atom elementType="O" id="a2" x3="1.788587" y3="1.21498" z3="1.642372"/>
<atom elementType="O" id="a3" x3="0.785083" y3="0.912001" z3="3.554492"/>
<atom elementType="O" id="a4" x3="-2.792854" y3="0.417534" z3="0.251149"/>
<atom elementType="O" id="a5" x3="-1.911406" y3="-0.335227" z3="2.159092"/>
<atom elementType="C" id="a6" x3="-2.874863" y3="-0.089743" z3="1.382311"/>
<atom elementType="H" id="a7" x3="-3.876165" y3="-0.371581" z3="1.767384"/>
<atom elementType="C" id="a8" x3="1.78458" y3="1.302245" z3="2.905709"/>
<atom elementType="H" id="a9" x3="2.663192" y3="1.734366" z3="3.424394"/>
<atom elementType="C" id="a10" x3="0.395326" y3="0.928216" z3="-1.220279"/>
<atom elementType="C" id="a11" x3="-0.252696" y3="0.008786" z3="-0.370524"/>
<atom elementType="C" id="a12" x3="-0.202705" y3="-1.362576" z3="-0.693829"/>
<atom elementType="C" id="a13" x3="1.068463" y3="0.489961" z3="-2.353512"/>
<atom elementType="C" id="a14" x3="1.11864" y3="-0.874991" z3="-2.647733"/>
<atom elementType="C" id="a15" x3="0.483904" y3="-1.802607" z3="-1.820535"/>
<atom elementType="H" id="a16" x3="-0.721171" y3="-2.08388" z3="-0.055829"/>
<atom elementType="H" id="a17" x3="0.522774" y3="-2.867804" z3="-2.059621"/>
<atom elementType="H" id="a18" x3="0.364627" y3="1.994416" z3="-0.983008"/>
<atom elementType="H" id="a19" x3="-1.435343" y3="0.372206" z3="0.00123"/>
<atom elementType="H" id="a20" x3="1.562066" y3="1.209744" z3="-3.010412"/>
<atom elementType="H" id="a21" x3="1.656008" y3="-1.218414" z3="-3.535412"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0993,.3942,1.6734;1.7886,1.215,1.6424;.7851,.912,3.5545;-2.7929,.4175,.2511;-1.9114,-.3352,2.1591;-2.8749,-.0897,1.3823;-3.8762,-.3716,1.7674;1.7846,1.3022,2.9057;2.6632,1.7344,3.4244;.3953,.9282,-1.2203;-.2527,.0088,-.3705;-.2027,-1.3626,-.6938;1.0685,.49,-2.3535;1.1186,-.875,-2.6477;.4839,-1.8026,-1.8205;-.7212,-2.0839,-.0558;.5228,-2.8678,-2.0596;.3646,1.9944,-.983;-1.4353,.3722,.0012;1.5621,1.2097,-3.0104;1.656,-1.2184,-3.5354;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.09955" y3="0.395206" z3="1.673207"/>
<atom elementType="O" id="a2" x3="1.788849" y3="1.214463" z3="1.641702"/>
<atom elementType="O" id="a3" x3="0.784177" y3="0.913328" z3="3.553506"/>
<atom elementType="O" id="a4" x3="-2.793626" y3="0.417002" z3="0.251257"/>
<atom elementType="O" id="a5" x3="-1.911578" y3="-0.33367" z3="2.159806"/>
<atom elementType="C" id="a6" x3="-2.875266" y3="-0.089497" z3="1.382747"/>
<atom elementType="H" id="a7" x3="-3.876273" y3="-0.372186" z3="1.76803"/>
<atom elementType="C" id="a8" x3="1.784567" y3="1.302069" z3="2.905046"/>
<atom elementType="H" id="a9" x3="2.664434" y3="1.731658" z3="3.423679"/>
<atom elementType="C" id="a10" x3="0.394711" y3="0.928194" z3="-1.220394"/>
<atom elementType="C" id="a11" x3="-0.253347" y3="0.008658" z3="-0.37075"/>
<atom elementType="C" id="a12" x3="-0.202814" y3="-1.362706" z3="-0.694109"/>
<atom elementType="C" id="a13" x3="1.068607" y3="0.49009" z3="-2.353237"/>
<atom elementType="C" id="a14" x3="1.119361" y3="-0.87484" z3="-2.647356"/>
<atom elementType="C" id="a15" x3="0.484443" y3="-1.802592" z3="-1.820452"/>
<atom elementType="H" id="a16" x3="-0.721414" y3="-2.084153" z3="-0.056375"/>
<atom elementType="H" id="a17" x3="0.523656" y3="-2.867778" z3="-2.059523"/>
<atom elementType="H" id="a18" x3="0.363529" y3="1.994415" z3="-0.983269"/>
<atom elementType="H" id="a19" x3="-1.435315" y3="0.372308" z3="0.002009"/>
<atom elementType="H" id="a20" x3="1.562319" y3="1.209999" z3="-3.009913"/>
<atom elementType="H" id="a21" x3="1.657291" y3="-1.218144" z3="-3.534736"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0995,.3952,1.6732;1.7888,1.2145,1.6417;.7842,.9133,3.5535;-2.7936,.417,.2513;-1.9116,-.3337,2.1598;-2.8753,-.0895,1.3827;-3.8763,-.3722,1.768;1.7846,1.3021,2.905;2.6644,1.7317,3.4237;.3947,.9282,-1.2204;-.2533,.0087,-.3708;-.2028,-1.3627,-.6941;1.0686,.4901,-2.3532;1.1194,-.8748,-2.6474;.4844,-1.8026,-1.8205;-.7214,-2.0842,-.0564;.5237,-2.8678,-2.0595;.3635,1.9944,-.9833;-1.4353,.3723,.002;1.5623,1.21,-3.0099;1.6573,-1.2181,-3.5347;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.10107" y3="0.394699" z3="1.673436"/>
<atom elementType="O" id="a2" x3="1.786018" y3="1.215778" z3="1.639956"/>
<atom elementType="O" id="a3" x3="0.787434" y3="0.912836" z3="3.554715"/>
<atom elementType="O" id="a4" x3="-2.795694" y3="0.415301" z3="0.2505"/>
<atom elementType="O" id="a5" x3="-1.913446" y3="-0.333189" z3="2.15976"/>
<atom elementType="C" id="a6" x3="-2.877065" y3="-0.089595" z3="1.382548"/>
<atom elementType="H" id="a7" x3="-3.878167" y3="-0.371189" z3="1.768372"/>
<atom elementType="C" id="a8" x3="1.785974" y3="1.300867" z3="2.903547"/>
<atom elementType="H" id="a9" x3="2.668332" y3="1.728397" z3="3.419715"/>
<atom elementType="C" id="a10" x3="0.394216" y3="0.928831" z3="-1.220307"/>
<atom elementType="C" id="a11" x3="-0.254074" y3="0.009201" z3="-0.37095"/>
<atom elementType="C" id="a12" x3="-0.202681" y3="-1.362277" z3="-0.693594"/>
<atom elementType="C" id="a13" x3="1.069013" y3="0.490611" z3="-2.352525"/>
<atom elementType="C" id="a14" x3="1.120568" y3="-0.874453" z3="-2.646124"/>
<atom elementType="C" id="a15" x3="0.485573" y3="-1.802237" z3="-1.819324"/>
<atom elementType="H" id="a16" x3="-0.721457" y3="-2.083659" z3="-0.055954"/>
<atom elementType="H" id="a17" x3="0.525493" y3="-2.86749" z3="-2.057967"/>
<atom elementType="H" id="a18" x3="0.362406" y3="1.99509" z3="-0.983484"/>
<atom elementType="H" id="a19" x3="-1.436681" y3="0.371632" z3="0.000757"/>
<atom elementType="H" id="a20" x3="1.56283" y3="1.210482" z3="-3.009165"/>
<atom elementType="H" id="a21" x3="1.659237" y3="-1.217815" z3="-3.533038"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1011,.3947,1.6734;1.786,1.2158,1.64;.7874,.9128,3.5547;-2.7957,.4153,.2505;-1.9134,-.3332,2.1598;-2.8771,-.0896,1.3825;-3.8782,-.3712,1.7684;1.786,1.3009,2.9035;2.6683,1.7284,3.4197;.3942,.9288,-1.2203;-.2541,.0092,-.371;-.2027,-1.3623,-.6936;1.069,.4906,-2.3525;1.1206,-.8745,-2.6461;.4856,-1.8022,-1.8193;-.7215,-2.0837,-.056;.5255,-2.8675,-2.058;.3624,1.9951,-.9835;-1.4367,.3716,.0008;1.5628,1.2105,-3.0092;1.6592,-1.2178,-3.533;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.099901" y3="0.396429" z3="1.672922"/>
<atom elementType="O" id="a2" x3="1.789087" y3="1.213945" z3="1.641069"/>
<atom elementType="O" id="a3" x3="0.7829" y3="0.915513" z3="3.552578"/>
<atom elementType="O" id="a4" x3="-2.794185" y3="0.416783" z3="0.251023"/>
<atom elementType="O" id="a5" x3="-1.911811" y3="-0.332141" z3="2.160266"/>
<atom elementType="C" id="a6" x3="-2.87563" y3="-0.089229" z3="1.382769"/>
<atom elementType="H" id="a7" x3="-3.876368" y3="-0.372901" z3="1.768093"/>
<atom elementType="C" id="a8" x3="1.784577" y3="1.301896" z3="2.904456"/>
<atom elementType="H" id="a9" x3="2.666605" y3="1.726939" z3="3.423126"/>
<atom elementType="C" id="a10" x3="0.393756" y3="0.928293" z3="-1.220591"/>
<atom elementType="C" id="a11" x3="-0.253974" y3="0.008615" z3="-0.370827"/>
<atom elementType="C" id="a12" x3="-0.202597" y3="-1.362792" z3="-0.693974"/>
<atom elementType="C" id="a13" x3="1.068293" y3="0.49033" z3="-2.353101"/>
<atom elementType="C" id="a14" x3="1.119952" y3="-0.874633" z3="-2.646868"/>
<atom elementType="C" id="a15" x3="0.485258" y3="-1.802555" z3="-1.819981"/>
<atom elementType="H" id="a16" x3="-0.72108" y3="-2.084385" z3="-0.05631"/>
<atom elementType="H" id="a17" x3="0.525087" y3="-2.867766" z3="-2.058841"/>
<atom elementType="H" id="a18" x3="0.361853" y3="1.994557" z3="-0.983754"/>
<atom elementType="H" id="a19" x3="-1.435251" y3="0.372386" z3="0.002581"/>
<atom elementType="H" id="a20" x3="1.561794" y3="1.210375" z3="-3.009785"/>
<atom elementType="H" id="a21" x3="1.658392" y3="-1.217837" z3="-3.53398"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.0999,.3964,1.6729;1.7891,1.2139,1.6411;.7829,.9155,3.5526;-2.7942,.4168,.251;-1.9118,-.3321,2.1603;-2.8756,-.0892,1.3828;-3.8764,-.3729,1.7681;1.7846,1.3019,2.9045;2.6666,1.7269,3.4231;.3938,.9283,-1.2206;-.254,.0086,-.3708;-.2026,-1.3628,-.694;1.0683,.4903,-2.3531;1.12,-.8746,-2.6469;.4853,-1.8026,-1.82;-.7211,-2.0844,-.0563;.5251,-2.8678,-2.0588;.3619,1.9946,-.9838;-1.4353,.3724,.0026;1.5618,1.2104,-3.0098;1.6584,-1.2178,-3.534;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102001" y3="0.395979" z3="1.673196"/>
<atom elementType="O" id="a2" x3="1.785569" y3="1.21536" z3="1.639175"/>
<atom elementType="O" id="a3" x3="0.787187" y3="0.915071" z3="3.554474"/>
<atom elementType="O" id="a4" x3="-2.796967" y3="0.414356" z3="0.250183"/>
<atom elementType="O" id="a5" x3="-1.914202" y3="-0.331798" z3="2.160119"/>
<atom elementType="C" id="a6" x3="-2.877985" y3="-0.089613" z3="1.38261"/>
<atom elementType="H" id="a7" x3="-3.878828" y3="-0.371999" z3="1.768549"/>
<atom elementType="C" id="a8" x3="1.786532" y3="1.299996" z3="2.902822"/>
<atom elementType="H" id="a9" x3="2.671715" y3="1.722613" z3="3.418207"/>
<atom elementType="C" id="a10" x3="0.393292" y3="0.92936" z3="-1.220758"/>
<atom elementType="C" id="a11" x3="-0.254775" y3="0.009715" z3="-0.371242"/>
<atom elementType="C" id="a12" x3="-0.202385" y3="-1.361894" z3="-0.693162"/>
<atom elementType="C" id="a13" x3="1.068868" y3="0.491008" z3="-2.352447"/>
<atom elementType="C" id="a14" x3="1.121432" y3="-0.874181" z3="-2.645339"/>
<atom elementType="C" id="a15" x3="0.486661" y3="-1.80197" z3="-1.818371"/>
<atom elementType="H" id="a16" x3="-0.720994" y3="-2.083287" z3="-0.055403"/>
<atom elementType="H" id="a17" x3="0.527379" y3="-2.867314" z3="-2.056474"/>
<atom elementType="H" id="a18" x3="0.360689" y3="1.99571" z3="-0.984463"/>
<atom elementType="H" id="a19" x3="-1.437677" y3="0.371488" z3="0.000265"/>
<atom elementType="H" id="a20" x3="1.562523" y3="1.210859" z3="-3.00923"/>
<atom elementType="H" id="a21" x3="1.660727" y3="-1.217637" z3="-3.531837"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.102,.396,1.6732;1.7856,1.2154,1.6392;.7872,.9151,3.5545;-2.797,.4144,.2502;-1.9142,-.3318,2.1601;-2.878,-.0896,1.3826;-3.8788,-.372,1.7685;1.7865,1.3,2.9028;2.6717,1.7226,3.4182;.3933,.9294,-1.2208;-.2548,.0097,-.3712;-.2024,-1.3619,-.6932;1.0689,.491,-2.3524;1.1214,-.8742,-2.6453;.4867,-1.802,-1.8184;-.721,-2.0833,-.0554;.5274,-2.8673,-2.0565;.3607,1.9957,-.9845;-1.4377,.3715,.0003;1.5625,1.2109,-3.0092;1.6607,-1.2176,-3.5318;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.10087" y3="0.397418" z3="1.672869"/>
<atom elementType="O" id="a2" x3="1.787512" y3="1.215786" z3="1.639996"/>
<atom elementType="O" id="a3" x3="0.78358" y3="0.916641" z3="3.552529"/>
<atom elementType="O" id="a4" x3="-2.795048" y3="0.415587" z3="0.250379"/>
<atom elementType="O" id="a5" x3="-1.912651" y3="-0.331473" z3="2.160271"/>
<atom elementType="C" id="a6" x3="-2.87638" y3="-0.089524" z3="1.382528"/>
<atom elementType="H" id="a7" x3="-3.877198" y3="-0.372625" z3="1.768026"/>
<atom elementType="C" id="a8" x3="1.78519" y3="1.301406" z3="2.903576"/>
<atom elementType="H" id="a9" x3="2.669883" y3="1.721861" z3="3.421459"/>
<atom elementType="C" id="a10" x3="0.393187" y3="0.928582" z3="-1.220533"/>
<atom elementType="C" id="a11" x3="-0.254402" y3="0.008854" z3="-0.370695"/>
<atom elementType="C" id="a12" x3="-0.202319" y3="-1.362629" z3="-0.693504"/>
<atom elementType="C" id="a13" x3="1.068264" y3="0.490616" z3="-2.352721"/>
<atom elementType="C" id="a14" x3="1.120595" y3="-0.874396" z3="-2.646127"/>
<atom elementType="C" id="a15" x3="0.486036" y3="-1.802379" z3="-1.819202"/>
<atom elementType="H" id="a16" x3="-0.720692" y3="-2.084285" z3="-0.055823"/>
<atom elementType="H" id="a17" x3="0.526365" y3="-2.867631" z3="-2.057797"/>
<atom elementType="H" id="a18" x3="0.360756" y3="1.994892" z3="-0.983991"/>
<atom elementType="H" id="a19" x3="-1.436165" y3="0.372011" z3="0.002053"/>
<atom elementType="H" id="a20" x3="1.561665" y3="1.210705" z3="-3.009431"/>
<atom elementType="H" id="a21" x3="1.659452" y3="-1.217594" z3="-3.532987"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1009,.3974,1.6729;1.7875,1.2158,1.64;.7836,.9166,3.5525;-2.795,.4156,.2504;-1.9127,-.3315,2.1603;-2.8764,-.0895,1.3825;-3.8772,-.3726,1.768;1.7852,1.3014,2.9036;2.6699,1.7219,3.4215;.3932,.9286,-1.2205;-.2544,.0089,-.3707;-.2023,-1.3626,-.6935;1.0683,.4906,-2.3527;1.1206,-.8744,-2.6461;.486,-1.8024,-1.8192;-.7207,-2.0843,-.0558;.5264,-2.8676,-2.0578;.3608,1.9949,-.984;-1.4362,.372,.0021;1.5617,1.2107,-3.0094;1.6595,-1.2176,-3.533;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102325" y3="0.396926" z3="1.672965"/>
<atom elementType="O" id="a2" x3="1.7854" y3="1.215737" z3="1.639204"/>
<atom elementType="O" id="a3" x3="0.786387" y3="0.916587" z3="3.554471"/>
<atom elementType="O" id="a4" x3="-2.797101" y3="0.414456" z3="0.249666"/>
<atom elementType="O" id="a5" x3="-1.914394" y3="-0.331524" z3="2.159733"/>
<atom elementType="C" id="a6" x3="-2.87817" y3="-0.089578" z3="1.382094"/>
<atom elementType="H" id="a7" x3="-3.879008" y3="-0.372281" z3="1.76782"/>
<atom elementType="C" id="a8" x3="1.786627" y3="1.29956" z3="2.902966"/>
<atom elementType="H" id="a9" x3="2.673971" y3="1.71736" z3="3.418566"/>
<atom elementType="C" id="a10" x3="0.392528" y3="0.929766" z3="-1.221312"/>
<atom elementType="C" id="a11" x3="-0.254821" y3="0.010136" z3="-0.371244"/>
<atom elementType="C" id="a12" x3="-0.201595" y3="-1.361627" z3="-0.692333"/>
<atom elementType="C" id="a13" x3="1.068064" y3="0.491228" z3="-2.352944"/>
<atom elementType="C" id="a14" x3="1.121446" y3="-0.874111" z3="-2.645087"/>
<atom elementType="C" id="a15" x3="0.487521" y3="-1.801882" z3="-1.817444"/>
<atom elementType="H" id="a16" x3="-0.719603" y3="-2.082975" z3="-0.05403"/>
<atom elementType="H" id="a17" x3="0.528967" y3="-2.867336" z3="-2.054929"/>
<atom elementType="H" id="a18" x3="0.359316" y3="1.996212" z3="-0.985526"/>
<atom elementType="H" id="a19" x3="-1.438282" y3="0.371843" z3="0.00003"/>
<atom elementType="H" id="a20" x3="1.561082" y3="1.211025" z3="-3.010264"/>
<atom elementType="H" id="a21" x3="1.660749" y3="-1.2177" z3="-3.531529"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1023,.3969,1.673;1.7854,1.2157,1.6392;.7864,.9166,3.5545;-2.7971,.4145,.2497;-1.9144,-.3315,2.1597;-2.8782,-.0896,1.3821;-3.879,-.3723,1.7678;1.7866,1.2996,2.903;2.674,1.7174,3.4186;.3925,.9298,-1.2213;-.2548,.0101,-.3712;-.2016,-1.3616,-.6923;1.0681,.4912,-2.3529;1.1214,-.8741,-2.6451;.4875,-1.8019,-1.8174;-.7196,-2.083,-.054;.529,-2.8673,-2.0549;.3593,1.9962,-.9855;-1.4383,.3718,0;1.5611,1.211,-3.0103;1.6607,-1.2177,-3.5315;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101334" y3="0.398596" z3="1.672819"/>
<atom elementType="O" id="a2" x3="1.786402" y3="1.218193" z3="1.639737"/>
<atom elementType="O" id="a3" x3="0.783312" y3="0.918023" z3="3.552472"/>
<atom elementType="O" id="a4" x3="-2.794936" y3="0.41493" z3="0.249853"/>
<atom elementType="O" id="a5" x3="-1.912781" y3="-0.331514" z3="2.159975"/>
<atom elementType="C" id="a6" x3="-2.876405" y3="-0.089956" z3="1.38215"/>
<atom elementType="H" id="a7" x3="-3.877339" y3="-0.372706" z3="1.767545"/>
<atom elementType="C" id="a8" x3="1.785287" y3="1.301484" z3="2.903471"/>
<atom elementType="H" id="a9" x3="2.672174" y3="1.717389" z3="3.421277"/>
<atom elementType="C" id="a10" x3="0.392911" y3="0.928674" z3="-1.22052"/>
<atom elementType="C" id="a11" x3="-0.254448" y3="0.009016" z3="-0.370414"/>
<atom elementType="C" id="a12" x3="-0.20207" y3="-1.362526" z3="-0.693092"/>
<atom elementType="C" id="a13" x3="1.068033" y3="0.490659" z3="-2.35269"/>
<atom elementType="C" id="a14" x3="1.12063" y3="-0.874354" z3="-2.645879"/>
<atom elementType="C" id="a15" x3="0.486286" y3="-1.802317" z3="-1.818751"/>
<atom elementType="H" id="a16" x3="-0.720209" y3="-2.084229" z3="-0.055263"/>
<atom elementType="H" id="a17" x3="0.5268" y3="-2.867598" z3="-2.057185"/>
<atom elementType="H" id="a18" x3="0.360298" y3="1.995027" z3="-0.984196"/>
<atom elementType="H" id="a19" x3="-1.436625" y3="0.371863" z3="0.001794"/>
<atom elementType="H" id="a20" x3="1.561266" y3="1.210758" z3="-3.009518"/>
<atom elementType="H" id="a21" x3="1.659508" y3="-1.217592" z3="-3.532711"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1013,.3986,1.6728;1.7864,1.2182,1.6397;.7833,.918,3.5525;-2.7949,.4149,.2499;-1.9128,-.3315,2.16;-2.8764,-.09,1.3821;-3.8773,-.3727,1.7675;1.7853,1.3015,2.9035;2.6722,1.7174,3.4213;.3929,.9287,-1.2205;-.2544,.009,-.3704;-.2021,-1.3625,-.6931;1.068,.4907,-2.3527;1.1206,-.8744,-2.6459;.4863,-1.8023,-1.8188;-.7202,-2.0842,-.0553;.5268,-2.8676,-2.0572;.3603,1.995,-.9842;-1.4366,.3719,.0018;1.5613,1.2108,-3.0095;1.6595,-1.2176,-3.5327;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.10259" y3="0.397653" z3="1.67264"/>
<atom elementType="O" id="a2" x3="1.785317" y3="1.216072" z3="1.639164"/>
<atom elementType="O" id="a3" x3="0.785695" y3="0.917716" z3="3.55435"/>
<atom elementType="O" id="a4" x3="-2.797525" y3="0.414421" z3="0.249184"/>
<atom elementType="O" id="a5" x3="-1.914591" y3="-0.331156" z3="2.159371"/>
<atom elementType="C" id="a6" x3="-2.878456" y3="-0.089449" z3="1.38169"/>
<atom elementType="H" id="a7" x3="-3.879231" y3="-0.372369" z3="1.767431"/>
<atom elementType="C" id="a8" x3="1.786777" y3="1.298968" z3="2.903032"/>
<atom elementType="H" id="a9" x3="2.676085" y3="1.71196" z3="3.41912"/>
<atom elementType="C" id="a10" x3="0.391679" y3="0.930296" z3="-1.222058"/>
<atom elementType="C" id="a11" x3="-0.254931" y3="0.010687" z3="-0.371431"/>
<atom elementType="C" id="a12" x3="-0.200778" y3="-1.36126" z3="-0.691477"/>
<atom elementType="C" id="a13" x3="1.067258" y3="0.491495" z3="-2.353538"/>
<atom elementType="C" id="a14" x3="1.121577" y3="-0.874044" z3="-2.644773"/>
<atom elementType="C" id="a15" x3="0.488528" y3="-1.801769" z3="-1.8164"/>
<atom elementType="H" id="a16" x3="-0.718193" y3="-2.082502" z3="-0.052571"/>
<atom elementType="H" id="a17" x3="0.530823" y3="-2.867357" z3="-2.053139"/>
<atom elementType="H" id="a18" x3="0.357758" y3="1.996852" z3="-0.986864"/>
<atom elementType="H" id="a19" x3="-1.439044" y3="0.372238" z3="-0.000314"/>
<atom elementType="H" id="a20" x3="1.559626" y3="1.21119" z3="-3.011457"/>
<atom elementType="H" id="a21" x3="1.660975" y3="-1.217821" z3="-3.531087"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1026,.3977,1.6726;1.7853,1.2161,1.6392;.7857,.9177,3.5543;-2.7975,.4144,.2492;-1.9146,-.3312,2.1594;-2.8785,-.0894,1.3817;-3.8792,-.3724,1.7674;1.7868,1.299,2.903;2.6761,1.712,3.4191;.3917,.9303,-1.2221;-.2549,.0107,-.3714;-.2008,-1.3613,-.6915;1.0673,.4915,-2.3535;1.1216,-.874,-2.6448;.4885,-1.8018,-1.8164;-.7182,-2.0825,-.0526;.5308,-2.8674,-2.0531;.3578,1.9969,-.9869;-1.439,.3722,-.0003;1.5596,1.2112,-3.0115;1.661,-1.2178,-3.5311;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101872" y3="0.399678" z3="1.672784"/>
<atom elementType="O" id="a2" x3="1.785429" y3="1.220186" z3="1.639431"/>
<atom elementType="O" id="a3" x3="0.78307" y3="0.919826" z3="3.552436"/>
<atom elementType="O" id="a4" x3="-2.795001" y3="0.41406" z3="0.249429"/>
<atom elementType="O" id="a5" x3="-1.913019" y3="-0.331175" z3="2.159986"/>
<atom elementType="C" id="a6" x3="-2.876576" y3="-0.090281" z3="1.382008"/>
<atom elementType="H" id="a7" x3="-3.877541" y3="-0.372873" z3="1.767392"/>
<atom elementType="C" id="a8" x3="1.785456" y3="1.301625" z3="2.903249"/>
<atom elementType="H" id="a9" x3="2.674471" y3="1.713151" z3="3.420916"/>
<atom elementType="C" id="a10" x3="0.392614" y3="0.928721" z3="-1.22048"/>
<atom elementType="C" id="a11" x3="-0.254671" y3="0.009103" z3="-0.370254"/>
<atom elementType="C" id="a12" x3="-0.201995" y3="-1.362463" z3="-0.692919"/>
<atom elementType="C" id="a13" x3="1.067962" y3="0.490721" z3="-2.352551"/>
<atom elementType="C" id="a14" x3="1.120834" y3="-0.874267" z3="-2.645614"/>
<atom elementType="C" id="a15" x3="0.486533" y3="-1.802235" z3="-1.818458"/>
<atom elementType="H" id="a16" x3="-0.720046" y3="-2.08425" z3="-0.055103"/>
<atom elementType="H" id="a17" x3="0.527214" y3="-2.86753" z3="-2.056809"/>
<atom elementType="H" id="a18" x3="0.359818" y3="1.995102" z3="-0.984314"/>
<atom elementType="H" id="a19" x3="-1.436943" y3="0.371356" z3="0.001459"/>
<atom elementType="H" id="a20" x3="1.561153" y3="1.210865" z3="-3.009363"/>
<atom elementType="H" id="a21" x3="1.659868" y3="-1.217499" z3="-3.532353"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1019,.3997,1.6728;1.7854,1.2202,1.6394;.7831,.9198,3.5524;-2.795,.4141,.2494;-1.913,-.3312,2.16;-2.8766,-.0903,1.382;-3.8775,-.3729,1.7674;1.7855,1.3016,2.9032;2.6745,1.7132,3.4209;.3926,.9287,-1.2205;-.2547,.0091,-.3703;-.202,-1.3625,-.6929;1.068,.4907,-2.3526;1.1208,-.8743,-2.6456;.4865,-1.8022,-1.8185;-.72,-2.0842,-.0551;.5272,-2.8675,-2.0568;.3598,1.9951,-.9843;-1.4369,.3714,.0015;1.5612,1.2109,-3.0094;1.6599,-1.2175,-3.5324;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102916" y3="0.398636" z3="1.672221"/>
<atom elementType="O" id="a2" x3="1.785268" y3="1.216704" z3="1.63859"/>
<atom elementType="O" id="a3" x3="0.784875" y3="0.91859" z3="3.553421"/>
<atom elementType="O" id="a4" x3="-2.798417" y3="0.413848" z3="0.249073"/>
<atom elementType="O" id="a5" x3="-1.914732" y3="-0.330137" z3="2.159632"/>
<atom elementType="C" id="a6" x3="-2.878841" y3="-0.089305" z3="1.381882"/>
<atom elementType="H" id="a7" x3="-3.879402" y3="-0.372526" z3="1.767992"/>
<atom elementType="C" id="a8" x3="1.786881" y3="1.298421" z3="2.902542"/>
<atom elementType="H" id="a9" x3="2.677791" y3="1.706845" z3="3.419476"/>
<atom elementType="C" id="a10" x3="0.390902" y3="0.930713" z3="-1.222705"/>
<atom elementType="C" id="a11" x3="-0.25532" y3="0.011095" z3="-0.371812"/>
<atom elementType="C" id="a12" x3="-0.200347" y3="-1.360977" z3="-0.691079"/>
<atom elementType="C" id="a13" x3="1.06696" y3="0.491733" z3="-2.353808"/>
<atom elementType="C" id="a14" x3="1.12213" y3="-0.873957" z3="-2.644339"/>
<atom elementType="C" id="a15" x3="0.489457" y3="-1.801656" z3="-1.815648"/>
<atom elementType="H" id="a16" x3="-0.717506" y3="-2.08216" z3="-0.051908"/>
<atom elementType="H" id="a17" x3="0.532433" y3="-2.867337" z3="-2.051841"/>
<atom elementType="H" id="a18" x3="0.356284" y3="1.997358" z3="-0.98801"/>
<atom elementType="H" id="a19" x3="-1.439708" y3="0.372432" z3="-0.000435"/>
<atom elementType="H" id="a20" x3="1.559044" y3="1.211365" z3="-3.012005"/>
<atom elementType="H" id="a21" x3="1.661922" y3="-1.217862" z3="-3.530364"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1029,.3986,1.6722;1.7853,1.2167,1.6386;.7849,.9186,3.5534;-2.7984,.4138,.2491;-1.9147,-.3301,2.1596;-2.8788,-.0893,1.3819;-3.8794,-.3725,1.768;1.7869,1.2984,2.9025;2.6778,1.7068,3.4195;.3909,.9307,-1.2227;-.2553,.0111,-.3718;-.2003,-1.361,-.6911;1.067,.4917,-2.3538;1.1221,-.874,-2.6443;.4895,-1.8017,-1.8156;-.7175,-2.0822,-.0519;.5324,-2.8673,-2.0518;.3563,1.9974,-.988;-1.4397,.3724,-.0004;1.559,1.2114,-3.012;1.6619,-1.2179,-3.5304;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102495" y3="0.400508" z3="1.672667"/>
<atom elementType="O" id="a2" x3="1.785033" y3="1.220706" z3="1.63922"/>
<atom elementType="O" id="a3" x3="0.78282" y3="0.921881" z3="3.552585"/>
<atom elementType="O" id="a4" x3="-2.795298" y3="0.413518" z3="0.248939"/>
<atom elementType="O" id="a5" x3="-1.913559" y3="-0.330323" z3="2.160109"/>
<atom elementType="C" id="a6" x3="-2.877037" y3="-0.090183" z3="1.381835"/>
<atom elementType="H" id="a7" x3="-3.877985" y3="-0.372846" z3="1.767197"/>
<atom elementType="C" id="a8" x3="1.785837" y3="1.301372" z3="2.903057"/>
<atom elementType="H" id="a9" x3="2.676844" y3="1.708639" z3="3.420693"/>
<atom elementType="C" id="a10" x3="0.391923" y3="0.928894" z3="-1.220706"/>
<atom elementType="C" id="a11" x3="-0.254974" y3="0.009213" z3="-0.370238"/>
<atom elementType="C" id="a12" x3="-0.201586" y3="-1.362409" z3="-0.692586"/>
<atom elementType="C" id="a13" x3="1.06755" y3="0.490932" z3="-2.352636"/>
<atom elementType="C" id="a14" x3="1.121138" y3="-0.874092" z3="-2.645322"/>
<atom elementType="C" id="a15" x3="0.487247" y3="-1.802139" z3="-1.817953"/>
<atom elementType="H" id="a16" x3="-0.719352" y3="-2.084295" z3="-0.054647"/>
<atom elementType="H" id="a17" x3="0.528481" y3="-2.867477" z3="-2.056011"/>
<atom elementType="H" id="a18" x3="0.358611" y3="1.995325" z3="-0.984829"/>
<atom elementType="H" id="a19" x3="-1.437265" y3="0.370739" z3="0.001033"/>
<atom elementType="H" id="a20" x3="1.560419" y3="1.211154" z3="-3.009607"/>
<atom elementType="H" id="a21" x3="1.660408" y3="-1.217296" z3="-3.531928"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1025,.4005,1.6727;1.785,1.2207,1.6392;.7828,.9219,3.5526;-2.7953,.4135,.2489;-1.9136,-.3303,2.1601;-2.877,-.0902,1.3818;-3.878,-.3728,1.7672;1.7858,1.3014,2.9031;2.6768,1.7086,3.4207;.3919,.9289,-1.2207;-.255,.0092,-.3702;-.2016,-1.3624,-.6926;1.0675,.4909,-2.3526;1.1211,-.8741,-2.6453;.4872,-1.8021,-1.818;-.7194,-2.0843,-.0546;.5285,-2.8675,-2.056;.3586,1.9953,-.9848;-1.4373,.3707,.001;1.5604,1.2112,-3.0096;1.6604,-1.2173,-3.5319;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103255" y3="0.399906" z3="1.671954"/>
<atom elementType="O" id="a2" x3="1.784891" y3="1.21835" z3="1.637785"/>
<atom elementType="O" id="a3" x3="0.7841" y3="0.91941" z3="3.552128"/>
<atom elementType="O" id="a4" x3="-2.799156" y3="0.412864" z3="0.249234"/>
<atom elementType="O" id="a5" x3="-1.914668" y3="-0.329224" z3="2.160173"/>
<atom elementType="C" id="a6" x3="-2.879004" y3="-0.089473" z3="1.382386"/>
<atom elementType="H" id="a7" x3="-3.879361" y3="-0.372899" z3="1.768884"/>
<atom elementType="C" id="a8" x3="1.786864" y3="1.298307" z3="2.901808"/>
<atom elementType="H" id="a9" x3="2.679049" y3="1.702815" z3="3.419583"/>
<atom elementType="C" id="a10" x3="0.390559" y3="0.930852" z3="-1.22293"/>
<atom elementType="C" id="a11" x3="-0.255724" y3="0.011255" z3="-0.372074"/>
<atom elementType="C" id="a12" x3="-0.20043" y3="-1.360846" z3="-0.691129"/>
<atom elementType="C" id="a13" x3="1.06721" y3="0.491805" z3="-2.35366"/>
<atom elementType="C" id="a14" x3="1.122726" y3="-0.873915" z3="-2.643962"/>
<atom elementType="C" id="a15" x3="0.489835" y3="-1.80158" z3="-1.815388"/>
<atom elementType="H" id="a16" x3="-0.717664" y3="-2.082046" z3="-0.052046"/>
<atom elementType="H" id="a17" x3="0.533002" y3="-2.867286" z3="-2.051438"/>
<atom elementType="H" id="a18" x3="0.35561" y3="1.997539" z3="-0.988477"/>
<atom elementType="H" id="a19" x3="-1.440216" y3="0.372435" z3="-0.000494"/>
<atom elementType="H" id="a20" x3="1.559453" y3="1.211424" z3="-3.011753"/>
<atom elementType="H" id="a21" x3="1.662939" y3="-1.217871" z3="-3.529711"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1033,.3999,1.672;1.7849,1.2184,1.6378;.7841,.9194,3.5521;-2.7992,.4129,.2492;-1.9147,-.3292,2.1602;-2.879,-.0895,1.3824;-3.8794,-.3729,1.7689;1.7869,1.2983,2.9018;2.679,1.7028,3.4196;.3906,.9309,-1.2229;-.2557,.0113,-.3721;-.2004,-1.3608,-.6911;1.0672,.4918,-2.3537;1.1227,-.8739,-2.644;.4898,-1.8016,-1.8154;-.7177,-2.082,-.052;.533,-2.8673,-2.0514;.3556,1.9975,-.9885;-1.4402,.3724,-.0005;1.5595,1.2114,-3.0118;1.6629,-1.2179,-3.5297;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103002" y3="0.40107" z3="1.672462"/>
<atom elementType="O" id="a2" x3="1.78505" y3="1.22034" z3="1.639353"/>
<atom elementType="O" id="a3" x3="0.782601" y3="0.923362" z3="3.553061"/>
<atom elementType="O" id="a4" x3="-2.795483" y3="0.413552" z3="0.248203"/>
<atom elementType="O" id="a5" x3="-1.914202" y3="-0.329458" z3="2.159912"/>
<atom elementType="C" id="a6" x3="-2.877552" y3="-0.089811" z3="1.381289"/>
<atom elementType="H" id="a7" x3="-3.878527" y3="-0.372556" z3="1.766524"/>
<atom elementType="C" id="a8" x3="1.786271" y3="1.300691" z3="2.903227"/>
<atom elementType="H" id="a9" x3="2.678938" y3="1.704048" z3="3.421097"/>
<atom elementType="C" id="a10" x3="0.390988" y3="0.929253" z3="-1.22129"/>
<atom elementType="C" id="a11" x3="-0.255049" y3="0.009518" z3="-0.370216"/>
<atom elementType="C" id="a12" x3="-0.200624" y3="-1.362245" z3="-0.69181"/>
<atom elementType="C" id="a13" x3="1.066594" y3="0.491225" z3="-2.353187"/>
<atom elementType="C" id="a14" x3="1.12121" y3="-0.873932" z3="-2.645134"/>
<atom elementType="C" id="a15" x3="0.488332" y3="-1.802047" z3="-1.817092"/>
<atom elementType="H" id="a16" x3="-0.717744" y3="-2.084163" z3="-0.053377"/>
<atom elementType="H" id="a17" x3="0.530429" y3="-2.867489" z3="-2.054542"/>
<atom elementType="H" id="a18" x3="0.3569" y3="1.995772" z3="-0.985927"/>
<atom elementType="H" id="a19" x3="-1.437554" y3="0.370408" z3="0.000746"/>
<atom elementType="H" id="a20" x3="1.558674" y3="1.211468" z3="-3.010722"/>
<atom elementType="H" id="a21" x3="1.66051" y3="-1.217185" z3="-3.531703"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.103,.4011,1.6725;1.7851,1.2203,1.6394;.7826,.9234,3.5531;-2.7955,.4136,.2482;-1.9142,-.3295,2.1599;-2.8776,-.0898,1.3813;-3.8785,-.3726,1.7665;1.7863,1.3007,2.9032;2.6789,1.704,3.4211;.391,.9293,-1.2213;-.255,.0095,-.3702;-.2006,-1.3622,-.6918;1.0666,.4912,-2.3532;1.1212,-.8739,-2.6451;.4883,-1.802,-1.8171;-.7177,-2.0842,-.0534;.5304,-2.8675,-2.0545;.3569,1.9958,-.9859;-1.4376,.3704,.0007;1.5587,1.2115,-3.0107;1.6605,-1.2172,-3.5317;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103442" y3="0.401141" z3="1.671863"/>
<atom elementType="O" id="a2" x3="1.784538" y3="1.220286" z3="1.63712"/>
<atom elementType="O" id="a3" x3="0.783298" y3="0.920484" z3="3.550887"/>
<atom elementType="O" id="a4" x3="-2.799646" y3="0.411766" z3="0.24944"/>
<atom elementType="O" id="a5" x3="-1.914356" y3="-0.328706" z3="2.160644"/>
<atom elementType="C" id="a6" x3="-2.87889" y3="-0.089832" z3="1.382878"/>
<atom elementType="H" id="a7" x3="-3.87907" y3="-0.373522" z3="1.76964"/>
<atom elementType="C" id="a8" x3="1.786794" y3="1.298564" z3="2.901181"/>
<atom elementType="H" id="a9" x3="2.680022" y3="1.699615" z3="3.419805"/>
<atom elementType="C" id="a10" x3="0.390482" y3="0.930869" z3="-1.22291"/>
<atom elementType="C" id="a11" x3="-0.256057" y3="0.011294" z3="-0.372268"/>
<atom elementType="C" id="a12" x3="-0.200796" y3="-1.360789" z3="-0.691325"/>
<atom elementType="C" id="a13" x3="1.067619" y3="0.491782" z3="-2.353364"/>
<atom elementType="C" id="a14" x3="1.123132" y3="-0.873916" z3="-2.643684"/>
<atom elementType="C" id="a15" x3="0.489791" y3="-1.801539" z3="-1.815366"/>
<atom elementType="H" id="a16" x3="-0.718222" y3="-2.082012" z3="-0.052426"/>
<atom elementType="H" id="a17" x3="0.532883" y3="-2.867237" z3="-2.051467"/>
<atom elementType="H" id="a18" x3="0.355495" y3="1.997566" z3="-0.988517"/>
<atom elementType="H" id="a19" x3="-1.440701" y3="0.372512" z3="-0.000833"/>
<atom elementType="H" id="a20" x3="1.560216" y3="1.211396" z3="-3.011199"/>
<atom elementType="H" id="a21" x3="1.66367" y3="-1.217899" z3="-3.529225"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1034,.4011,1.6719;1.7845,1.2203,1.6371;.7833,.9205,3.5509;-2.7996,.4118,.2494;-1.9144,-.3287,2.1606;-2.8789,-.0898,1.3829;-3.8791,-.3735,1.7696;1.7868,1.2986,2.9012;2.68,1.6996,3.4198;.3905,.9309,-1.2229;-.2561,.0113,-.3723;-.2008,-1.3608,-.6913;1.0676,.4918,-2.3534;1.1231,-.8739,-2.6437;.4898,-1.8015,-1.8154;-.7182,-2.082,-.0524;.5329,-2.8672,-2.0515;.3555,1.9976,-.9885;-1.4407,.3725,-.0008;1.5602,1.2114,-3.0112;1.6637,-1.2179,-3.5292;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103608" y3="0.401806" z3="1.672073"/>
<atom elementType="O" id="a2" x3="1.784918" y3="1.220404" z3="1.639251"/>
<atom elementType="O" id="a3" x3="0.782536" y3="0.92419" z3="3.5533"/>
<atom elementType="O" id="a4" x3="-2.795801" y3="0.413563" z3="0.24746"/>
<atom elementType="O" id="a5" x3="-1.914947" y3="-0.328482" z3="2.159695"/>
<atom elementType="C" id="a6" x3="-2.878206" y3="-0.089486" z3="1.380764"/>
<atom elementType="H" id="a7" x3="-3.879199" y3="-0.372174" z3="1.765973"/>
<atom elementType="C" id="a8" x3="1.786755" y3="1.299694" z3="2.903218"/>
<atom elementType="H" id="a9" x3="2.681124" y3="1.69866" z3="3.421584"/>
<atom elementType="C" id="a10" x3="0.389919" y3="0.929766" z3="-1.222124"/>
<atom elementType="C" id="a11" x3="-0.25519" y3="0.010075" z3="-0.370244"/>
<atom elementType="C" id="a12" x3="-0.199535" y3="-1.36189" z3="-0.690894"/>
<atom elementType="C" id="a13" x3="1.065608" y3="0.49155" z3="-2.353865"/>
<atom elementType="C" id="a14" x3="1.121441" y3="-0.873793" z3="-2.644818"/>
<atom elementType="C" id="a15" x3="0.489653" y3="-1.801896" z3="-1.815974"/>
<atom elementType="H" id="a16" x3="-0.715965" y3="-2.083781" z3="-0.051874"/>
<atom elementType="H" id="a17" x3="0.532752" y3="-2.867475" z3="-2.052621"/>
<atom elementType="H" id="a18" x3="0.354885" y3="1.99642" z3="-0.987486"/>
<atom elementType="H" id="a19" x3="-1.438058" y3="0.370116" z3="0.000812"/>
<atom elementType="H" id="a20" x3="1.556824" y3="1.211747" z3="-3.012096"/>
<atom elementType="H" id="a21" x3="1.660855" y3="-1.217191" z3="-3.531261"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
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</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103532" y3="0.402348" z3="1.671816"/>
<atom elementType="O" id="a2" x3="1.784705" y3="1.221516" z3="1.636917"/>
<atom elementType="O" id="a3" x3="0.782194" y3="0.92262" z3="3.550043"/>
<atom elementType="O" id="a4" x3="-2.799624" y3="0.410666" z3="0.249139"/>
<atom elementType="O" id="a5" x3="-1.914118" y3="-0.327776" z3="2.161089"/>
<atom elementType="C" id="a6" x3="-2.878652" y3="-0.089822" z3="1.383056"/>
<atom elementType="H" id="a7" x3="-3.878789" y3="-0.373504" z3="1.76993"/>
<atom elementType="C" id="a8" x3="1.786836" y3="1.298968" z3="2.900937"/>
<atom elementType="H" id="a9" x3="2.681181" y3="1.696265" z3="3.420502"/>
<atom elementType="C" id="a10" x3="0.390098" y3="0.930664" z3="-1.222696"/>
<atom elementType="C" id="a11" x3="-0.25634" y3="0.010914" z3="-0.37223"/>
<atom elementType="C" id="a12" x3="-0.20089" y3="-1.361094" z3="-0.691465"/>
<atom elementType="C" id="a13" x3="1.06752" y3="0.4918" z3="-2.353121"/>
<atom elementType="C" id="a14" x3="1.123253" y3="-0.873809" z3="-2.643606"/>
<atom elementType="C" id="a15" x3="0.489854" y3="-1.801598" z3="-1.815479"/>
<atom elementType="H" id="a16" x3="-0.718236" y3="-2.082515" z3="-0.052707"/>
<atom elementType="H" id="a17" x3="0.533056" y3="-2.867258" z3="-2.051739"/>
<atom elementType="H" id="a18" x3="0.354982" y3="1.997338" z3="-0.988223"/>
<atom elementType="H" id="a19" x3="-1.440905" y3="0.372124" z3="-0.001476"/>
<atom elementType="H" id="a20" x3="1.560176" y3="1.211593" z3="-3.010721"/>
<atom elementType="H" id="a21" x3="1.663991" y3="-1.217618" z3="-3.529091"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1035,.4023,1.6718;1.7847,1.2215,1.6369;.7822,.9226,3.55;-2.7996,.4107,.2491;-1.9141,-.3278,2.1611;-2.8787,-.0898,1.3831;-3.8788,-.3735,1.7699;1.7868,1.299,2.9009;2.6812,1.6963,3.4205;.3901,.9307,-1.2227;-.2563,.0109,-.3722;-.2009,-1.3611,-.6915;1.0675,.4918,-2.3531;1.1233,-.8738,-2.6436;.4899,-1.8016,-1.8155;-.7182,-2.0825,-.0527;.5331,-2.8673,-2.0517;.355,1.9973,-.9882;-1.4409,.3721,-.0015;1.5602,1.2116,-3.0107;1.664,-1.2176,-3.5291;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.104146" y3="0.402612" z3="1.671683"/>
<atom elementType="O" id="a2" x3="1.784521" y3="1.221188" z3="1.638427"/>
<atom elementType="O" id="a3" x3="0.782473" y3="0.924032" z3="3.552474"/>
<atom elementType="O" id="a4" x3="-2.797023" y3="0.412963" z3="0.247547"/>
<atom elementType="O" id="a5" x3="-1.915354" y3="-0.32768" z3="2.1599"/>
<atom elementType="C" id="a6" x3="-2.878898" y3="-0.089533" z3="1.38106"/>
<atom elementType="H" id="a7" x3="-3.879645" y3="-0.372562" z3="1.766672"/>
<atom elementType="C" id="a8" x3="1.787066" y3="1.298681" z3="2.902505"/>
<atom elementType="H" id="a9" x3="2.682659" y3="1.693725" z3="3.42175"/>
<atom elementType="C" id="a10" x3="0.389287" y3="0.930481" z3="-1.223098"/>
<atom elementType="C" id="a11" x3="-0.255563" y3="0.010988" z3="-0.370787"/>
<atom elementType="C" id="a12" x3="-0.199081" y3="-1.36119" z3="-0.690354"/>
<atom elementType="C" id="a13" x3="1.065517" y3="0.491813" z3="-2.354297"/>
<atom elementType="C" id="a14" x3="1.122171" y3="-0.873764" z3="-2.644255"/>
<atom elementType="C" id="a15" x3="0.490695" y3="-1.801639" z3="-1.814936"/>
<atom elementType="H" id="a16" x3="-0.715315" y3="-2.082867" z3="-0.050958"/>
<atom elementType="H" id="a17" x3="0.534479" y3="-2.867366" z3="-2.050791"/>
<atom elementType="H" id="a18" x3="0.353531" y3="1.997277" z3="-0.989209"/>
<atom elementType="H" id="a19" x3="-1.439112" y3="0.370384" z3="0.000821"/>
<atom elementType="H" id="a20" x3="1.556494" y3="1.211773" z3="-3.012963"/>
<atom elementType="H" id="a21" x3="1.662004" y3="-1.217495" z3="-3.530318"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1041,.4026,1.6717;1.7845,1.2212,1.6384;.7825,.924,3.5525;-2.797,.413,.2475;-1.9154,-.3277,2.1599;-2.8789,-.0895,1.3811;-3.8796,-.3726,1.7667;1.7871,1.2987,2.9025;2.6827,1.6937,3.4217;.3893,.9305,-1.2231;-.2556,.011,-.3708;-.1991,-1.3612,-.6904;1.0655,.4918,-2.3543;1.1222,-.8738,-2.6443;.4907,-1.8016,-1.8149;-.7153,-2.0829,-.051;.5345,-2.8674,-2.0508;.3535,1.9973,-.9892;-1.4391,.3704,.0008;1.5565,1.2118,-3.013;1.662,-1.2175,-3.5303;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103717" y3="0.403026" z3="1.671719"/>
<atom elementType="O" id="a2" x3="1.784948" y3="1.221893" z3="1.637381"/>
<atom elementType="O" id="a3" x3="0.781686" y3="0.924484" z3="3.550466"/>
<atom elementType="O" id="a4" x3="-2.79878" y3="0.410627" z3="0.248297"/>
<atom elementType="O" id="a5" x3="-1.914337" y3="-0.327032" z3="2.161026"/>
<atom elementType="C" id="a6" x3="-2.87853" y3="-0.089577" z3="1.382473"/>
<atom elementType="H" id="a7" x3="-3.878861" y3="-0.372978" z3="1.769013"/>
<atom elementType="C" id="a8" x3="1.787008" y3="1.299225" z3="2.901371"/>
<atom elementType="H" id="a9" x3="2.682291" y3="1.693907" z3="3.421342"/>
<atom elementType="C" id="a10" x3="0.389555" y3="0.93038" z3="-1.222532"/>
<atom elementType="C" id="a11" x3="-0.256282" y3="0.010482" z3="-0.371737"/>
<atom elementType="C" id="a12" x3="-0.200399" y3="-1.361489" z3="-0.691247"/>
<atom elementType="C" id="a13" x3="1.066745" y3="0.491829" z3="-2.353251"/>
<atom elementType="C" id="a14" x3="1.122912" y3="-0.873689" z3="-2.643799"/>
<atom elementType="C" id="a15" x3="0.490113" y3="-1.801704" z3="-1.815488"/>
<atom elementType="H" id="a16" x3="-0.717319" y3="-2.083165" z3="-0.052405"/>
<atom elementType="H" id="a17" x3="0.533591" y3="-2.86734" z3="-2.051809"/>
<atom elementType="H" id="a18" x3="0.354175" y3="1.997048" z3="-0.988057"/>
<atom elementType="H" id="a19" x3="-1.440426" y3="0.371322" z3="-0.001453"/>
<atom elementType="H" id="a20" x3="1.5589" y3="1.211853" z3="-3.010973"/>
<atom elementType="H" id="a21" x3="1.663485" y3="-1.217279" z3="-3.529467"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1037,.403,1.6717;1.7849,1.2219,1.6374;.7817,.9245,3.5505;-2.7988,.4106,.2483;-1.9143,-.327,2.161;-2.8785,-.0896,1.3825;-3.8789,-.373,1.769;1.787,1.2992,2.9014;2.6823,1.6939,3.4213;.3896,.9304,-1.2225;-.2563,.0105,-.3717;-.2004,-1.3615,-.6912;1.0667,.4918,-2.3533;1.1229,-.8737,-2.6438;.4901,-1.8017,-1.8155;-.7173,-2.0832,-.0524;.5336,-2.8673,-2.0518;.3542,1.997,-.9881;-1.4404,.3713,-.0015;1.5589,1.2119,-3.011;1.6635,-1.2173,-3.5295;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.104047" y3="0.402943" z3="1.671627"/>
<atom elementType="O" id="a2" x3="1.784634" y3="1.221621" z3="1.637761"/>
<atom elementType="O" id="a3" x3="0.781976" y3="0.924005" z3="3.551248"/>
<atom elementType="O" id="a4" x3="-2.798128" y3="0.411857" z3="0.248069"/>
<atom elementType="O" id="a5" x3="-1.914976" y3="-0.327264" z3="2.160479"/>
<atom elementType="C" id="a6" x3="-2.878918" y3="-0.08959" z3="1.381881"/>
<atom elementType="H" id="a7" x3="-3.879387" y3="-0.37291" z3="1.768056"/>
<atom elementType="C" id="a8" x3="1.787021" y3="1.298595" z3="2.901826"/>
<atom elementType="H" id="a9" x3="2.682617" y3="1.692734" z3="3.421706"/>
<atom elementType="C" id="a10" x3="0.389334" y3="0.930666" z3="-1.223213"/>
<atom elementType="C" id="a11" x3="-0.255926" y3="0.011106" z3="-0.371406"/>
<atom elementType="C" id="a12" x3="-0.199542" y3="-1.361055" z3="-0.69064"/>
<atom elementType="C" id="a13" x3="1.06611" y3="0.49187" z3="-2.354038"/>
<atom elementType="C" id="a14" x3="1.122709" y3="-0.873757" z3="-2.643955"/>
<atom elementType="C" id="a15" x3="0.490701" y3="-1.801582" z3="-1.814925"/>
<atom elementType="H" id="a16" x3="-0.716063" y3="-2.082638" z3="-0.051381"/>
<atom elementType="H" id="a17" x3="0.534481" y3="-2.867316" z3="-2.050749"/>
<atom elementType="H" id="a18" x3="0.353585" y3="1.997453" z3="-0.989305"/>
<atom elementType="H" id="a19" x3="-1.439939" y3="0.370889" z3="0.000008"/>
<atom elementType="H" id="a20" x3="1.557564" y3="1.211754" z3="-3.012434"/>
<atom elementType="H" id="a21" x3="1.662954" y3="-1.21756" z3="-3.529741"/>
</atomArray>
<bondArray>
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<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.104,.4029,1.6716;1.7846,1.2216,1.6378;.782,.924,3.5512;-2.7981,.4119,.2481;-1.915,-.3273,2.1605;-2.8789,-.0896,1.3819;-3.8794,-.3729,1.7681;1.787,1.2986,2.9018;2.6826,1.6927,3.4217;.3893,.9307,-1.2232;-.2559,.0111,-.3714;-.1995,-1.3611,-.6906;1.0661,.4919,-2.354;1.1227,-.8738,-2.644;.4907,-1.8016,-1.8149;-.7161,-2.0826,-.0514;.5345,-2.8673,-2.0507;.3536,1.9975,-.9893;-1.4399,.3709,0;1.5576,1.2118,-3.0124;1.663,-1.2176,-3.5297;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103315" y3="0.402499" z3="1.671936"/>
<atom elementType="O" id="a2" x3="1.785179" y3="1.221606" z3="1.637496"/>
<atom elementType="O" id="a3" x3="0.782001" y3="0.924465" z3="3.550648"/>
<atom elementType="O" id="a4" x3="-2.798677" y3="0.410301" z3="0.24835"/>
<atom elementType="O" id="a5" x3="-1.913836" y3="-0.327458" z3="2.161137"/>
<atom elementType="C" id="a6" x3="-2.878039" y3="-0.089575" z3="1.38257"/>
<atom elementType="H" id="a7" x3="-3.878426" y3="-0.372857" z3="1.769079"/>
<atom elementType="C" id="a8" x3="1.786954" y3="1.300064" z3="2.901402"/>
<atom elementType="H" id="a9" x3="2.681416" y3="1.69748" z3="3.420694"/>
<atom elementType="C" id="a10" x3="0.390009" y3="0.929891" z3="-1.221591"/>
<atom elementType="C" id="a11" x3="-0.25634" y3="0.009686" z3="-0.371662"/>
<atom elementType="C" id="a12" x3="-0.201173" y3="-1.362069" z3="-0.691822"/>
<atom elementType="C" id="a13" x3="1.067198" y3="0.491691" z3="-2.352492"/>
<atom elementType="C" id="a14" x3="1.122691" y3="-0.873657" z3="-2.643896"/>
<atom elementType="C" id="a15" x3="0.489236" y3="-1.801892" z3="-1.816266"/>
<atom elementType="H" id="a16" x3="-0.718451" y3="-2.083879" z3="-0.053404"/>
<atom elementType="H" id="a17" x3="0.532208" y3="-2.867402" z3="-2.053254"/>
<atom elementType="H" id="a18" x3="0.355204" y3="1.996415" z3="-0.986399"/>
<atom elementType="H" id="a19" x3="-1.44027" y3="0.371589" z3="-0.002397"/>
<atom elementType="H" id="a20" x3="1.559913" y3="1.211898" z3="-3.009596"/>
<atom elementType="H" id="a21" x3="1.663278" y3="-1.216971" z3="-3.52966"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1033,.4025,1.6719;1.7852,1.2216,1.6375;.782,.9245,3.5506;-2.7987,.4103,.2483;-1.9138,-.3275,2.1611;-2.878,-.0896,1.3826;-3.8784,-.3729,1.7691;1.787,1.3001,2.9014;2.6814,1.6975,3.4207;.39,.9299,-1.2216;-.2563,.0097,-.3717;-.2012,-1.3621,-.6918;1.0672,.4917,-2.3525;1.1227,-.8737,-2.6439;.4892,-1.8019,-1.8163;-.7185,-2.0839,-.0534;.5322,-2.8674,-2.0533;.3552,1.9964,-.9864;-1.4403,.3716,-.0024;1.5599,1.2119,-3.0096;1.6633,-1.217,-3.5297;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103888" y3="0.401708" z3="1.671893"/>
<atom elementType="O" id="a2" x3="1.784545" y3="1.219753" z3="1.637858"/>
<atom elementType="O" id="a3" x3="0.78286" y3="0.92147" z3="3.551718"/>
<atom elementType="O" id="a4" x3="-2.798031" y3="0.413279" z3="0.248554"/>
<atom elementType="O" id="a5" x3="-1.91528" y3="-0.328141" z3="2.160086"/>
<atom elementType="C" id="a6" x3="-2.879172" y3="-0.08938" z3="1.381808"/>
<atom elementType="H" id="a7" x3="-3.879742" y3="-0.372456" z3="1.767907"/>
<atom elementType="C" id="a8" x3="1.786903" y3="1.297782" z3="2.901934"/>
<atom elementType="H" id="a9" x3="2.681132" y3="1.696698" z3="3.420524"/>
<atom elementType="C" id="a10" x3="0.389582" y3="0.930832" z3="-1.223391"/>
<atom elementType="C" id="a11" x3="-0.255705" y3="0.011394" z3="-0.371398"/>
<atom elementType="C" id="a12" x3="-0.19938" y3="-1.360835" z3="-0.690522"/>
<atom elementType="C" id="a13" x3="1.066179" y3="0.491893" z3="-2.354227"/>
<atom elementType="C" id="a14" x3="1.122719" y3="-0.8738" z3="-2.643982"/>
<atom elementType="C" id="a15" x3="0.490815" y3="-1.801523" z3="-1.814783"/>
<atom elementType="H" id="a16" x3="-0.715949" y3="-2.082297" z3="-0.051183"/>
<atom elementType="H" id="a17" x3="0.53459" y3="-2.867285" z3="-2.050471"/>
<atom elementType="H" id="a18" x3="0.353828" y3="1.997644" z3="-0.989593"/>
<atom elementType="H" id="a19" x3="-1.439576" y3="0.371131" z3="0.000789"/>
<atom elementType="H" id="a20" x3="1.557505" y3="1.211667" z3="-3.012836"/>
<atom elementType="H" id="a21" x3="1.662825" y3="-1.217711" z3="-3.529811"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1039,.4017,1.6719;1.7845,1.2198,1.6379;.7829,.9215,3.5517;-2.798,.4133,.2486;-1.9153,-.3281,2.1601;-2.8792,-.0894,1.3818;-3.8797,-.3725,1.7679;1.7869,1.2978,2.9019;2.6811,1.6967,3.4205;.3896,.9308,-1.2234;-.2557,.0114,-.3714;-.1994,-1.3608,-.6905;1.0662,.4919,-2.3542;1.1227,-.8738,-2.644;.4908,-1.8015,-1.8148;-.7159,-2.0823,-.0512;.5346,-2.8673,-2.0505;.3538,1.9976,-.9896;-1.4396,.3711,.0008;1.5575,1.2117,-3.0128;1.6628,-1.2177,-3.5298;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.10308" y3="0.401325" z3="1.672213"/>
<atom elementType="O" id="a2" x3="1.784985" y3="1.22092" z3="1.638321"/>
<atom elementType="O" id="a3" x3="0.783265" y3="0.923311" z3="3.55238"/>
<atom elementType="O" id="a4" x3="-2.797521" y3="0.411539" z3="0.248411"/>
<atom elementType="O" id="a5" x3="-1.913752" y3="-0.329022" z3="2.160504"/>
<atom elementType="C" id="a6" x3="-2.877694" y3="-0.090016" z3="1.382034"/>
<atom elementType="H" id="a7" x3="-3.878279" y3="-0.373332" z3="1.767974"/>
<atom elementType="C" id="a8" x3="1.78673" y3="1.300954" z3="2.902248"/>
<atom elementType="H" id="a9" x3="2.679696" y3="1.703422" z3="3.420269"/>
<atom elementType="C" id="a10" x3="0.391015" y3="0.929463" z3="-1.221026"/>
<atom elementType="C" id="a11" x3="-0.255774" y3="0.009475" z3="-0.371058"/>
<atom elementType="C" id="a12" x3="-0.20159" y3="-1.362202" z3="-0.692176"/>
<atom elementType="C" id="a13" x3="1.067499" y3="0.491347" z3="-2.352367"/>
<atom elementType="C" id="a14" x3="1.121921" y3="-0.873862" z3="-2.644451"/>
<atom elementType="C" id="a15" x3="0.488085" y3="-1.801995" z3="-1.817061"/>
<atom elementType="H" id="a16" x3="-0.719188" y3="-2.083994" z3="-0.053996"/>
<atom elementType="H" id="a17" x3="0.530149" y3="-2.867418" z3="-2.054601"/>
<atom elementType="H" id="a18" x3="0.35705" y3="1.995918" z3="-0.985391"/>
<atom elementType="H" id="a19" x3="-1.439176" y3="0.371608" z3="-0.001476"/>
<atom elementType="H" id="a20" x3="1.560479" y3="1.211522" z3="-3.009304"/>
<atom elementType="H" id="a21" x3="1.661939" y3="-1.21714" z3="-3.530576"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1031,.4013,1.6722;1.785,1.2209,1.6383;.7833,.9233,3.5524;-2.7975,.4115,.2484;-1.9138,-.329,2.1605;-2.8777,-.09,1.382;-3.8783,-.3733,1.768;1.7867,1.301,2.9022;2.6797,1.7034,3.4203;.391,.9295,-1.221;-.2558,.0095,-.3711;-.2016,-1.3622,-.6922;1.0675,.4913,-2.3524;1.1219,-.8739,-2.6445;.4881,-1.802,-1.8171;-.7192,-2.084,-.054;.5301,-2.8674,-2.0546;.357,1.9959,-.9854;-1.4392,.3716,-.0015;1.5605,1.2115,-3.0093;1.6619,-1.2171,-3.5306;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.103432" y3="0.400397" z3="1.672173"/>
<atom elementType="O" id="a2" x3="1.78477" y3="1.218237" z3="1.63817"/>
<atom elementType="O" id="a3" x3="0.783108" y3="0.919452" z3="3.551876"/>
<atom elementType="O" id="a4" x3="-2.797565" y3="0.414466" z3="0.249046"/>
<atom elementType="O" id="a5" x3="-1.915226" y3="-0.329198" z3="2.159763"/>
<atom elementType="C" id="a6" x3="-2.879037" y3="-0.089336" z3="1.381777"/>
<atom elementType="H" id="a7" x3="-3.879694" y3="-0.372268" z3="1.76775"/>
<atom elementType="C" id="a8" x3="1.786523" y3="1.297497" z3="2.902174"/>
<atom elementType="H" id="a9" x3="2.67903" y3="1.701072" z3="3.420117"/>
<atom elementType="C" id="a10" x3="0.390206" y3="0.930889" z3="-1.223379"/>
<atom elementType="C" id="a11" x3="-0.255233" y3="0.011562" z3="-0.371354"/>
<atom elementType="C" id="a12" x3="-0.199367" y3="-1.360679" z3="-0.690519"/>
<atom elementType="C" id="a13" x3="1.06632" y3="0.491819" z3="-2.354423"/>
<atom elementType="C" id="a14" x3="1.122396" y3="-0.873911" z3="-2.64426"/>
<atom elementType="C" id="a15" x3="0.490497" y3="-1.801517" z3="-1.81494"/>
<atom elementType="H" id="a16" x3="-0.716072" y3="-2.081976" z3="-0.051116"/>
<atom elementType="H" id="a17" x3="0.533968" y3="-2.867283" z3="-2.050664"/>
<atom elementType="H" id="a18" x3="0.354809" y3="1.997688" z3="-0.989461"/>
<atom elementType="H" id="a19" x3="-1.439006" y3="0.371364" z3="0.001598"/>
<atom elementType="H" id="a20" x3="1.557627" y3="1.21147" z3="-3.013181"/>
<atom elementType="H" id="a21" x3="1.662137" y3="-1.217923" z3="-3.530274"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1034,.4004,1.6722;1.7848,1.2182,1.6382;.7831,.9195,3.5519;-2.7976,.4145,.249;-1.9152,-.3292,2.1598;-2.879,-.0893,1.3818;-3.8797,-.3723,1.7677;1.7865,1.2975,2.9022;2.679,1.7011,3.4201;.3902,.9309,-1.2234;-.2552,.0116,-.3714;-.1994,-1.3607,-.6905;1.0663,.4918,-2.3544;1.1224,-.8739,-2.6443;.4905,-1.8015,-1.8149;-.7161,-2.082,-.0511;.534,-2.8673,-2.0507;.3548,1.9977,-.9895;-1.439,.3714,.0016;1.5576,1.2115,-3.0132;1.6621,-1.2179,-3.5303;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.10261" y3="0.400275" z3="1.672452"/>
<atom elementType="O" id="a2" x3="1.785236" y3="1.220197" z3="1.638909"/>
<atom elementType="O" id="a3" x3="0.784264" y3="0.922491" z3="3.553467"/>
<atom elementType="O" id="a4" x3="-2.79695" y3="0.41166" z3="0.248538"/>
<atom elementType="O" id="a5" x3="-1.913379" y3="-0.32986" z3="2.160427"/>
<atom elementType="C" id="a6" x3="-2.877254" y3="-0.090177" z3="1.382048"/>
<atom elementType="H" id="a7" x3="-3.877976" y3="-0.373253" z3="1.7678"/>
<atom elementType="C" id="a8" x3="1.786618" y3="1.301919" z3="2.90279"/>
<atom elementType="H" id="a9" x3="2.677845" y3="1.70944" z3="3.41988"/>
<atom elementType="C" id="a10" x3="0.391875" y3="0.928891" z3="-1.220216"/>
<atom elementType="C" id="a11" x3="-0.255569" y3="0.008846" z3="-0.370803"/>
<atom elementType="C" id="a12" x3="-0.202372" y3="-1.362651" z3="-0.692935"/>
<atom elementType="C" id="a13" x3="1.06807" y3="0.491047" z3="-2.35186"/>
<atom elementType="C" id="a14" x3="1.121463" y3="-0.873964" z3="-2.644899"/>
<atom elementType="C" id="a15" x3="0.486907" y3="-1.802177" z3="-1.818148"/>
<atom elementType="H" id="a16" x3="-0.720431" y3="-2.084537" z3="-0.055222"/>
<atom elementType="H" id="a17" x3="0.528139" y3="-2.867465" z3="-2.056437"/>
<atom elementType="H" id="a18" x3="0.358739" y3="1.995219" z3="-0.983892"/>
<atom elementType="H" id="a19" x3="-1.438717" y3="0.371635" z3="-0.001518"/>
<atom elementType="H" id="a20" x3="1.561622" y3="1.211322" z3="-3.008258"/>
<atom elementType="H" id="a21" x3="1.661238" y3="-1.217036" z3="-3.53125"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1026,.4003,1.6725;1.7852,1.2202,1.6389;.7843,.9225,3.5535;-2.7969,.4117,.2485;-1.9134,-.3299,2.1604;-2.8773,-.0902,1.382;-3.878,-.3733,1.7678;1.7866,1.3019,2.9028;2.6778,1.7094,3.4199;.3919,.9289,-1.2202;-.2556,.0088,-.3708;-.2024,-1.3627,-.6929;1.0681,.491,-2.3519;1.1215,-.874,-2.6449;.4869,-1.8022,-1.8181;-.7204,-2.0845,-.0552;.5281,-2.8675,-2.0564;.3587,1.9952,-.9839;-1.4387,.3716,-.0015;1.5616,1.2113,-3.0083;1.6612,-1.217,-3.5312;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102758" y3="0.398913" z3="1.67246"/>
<atom elementType="O" id="a2" x3="1.785026" y3="1.217286" z3="1.638615"/>
<atom elementType="O" id="a3" x3="0.783436" y3="0.917311" z3="3.552086"/>
<atom elementType="O" id="a4" x3="-2.796874" y3="0.415647" z3="0.249649"/>
<atom elementType="O" id="a5" x3="-1.914824" y3="-0.330642" z3="2.159399"/>
<atom elementType="C" id="a6" x3="-2.878569" y3="-0.08944" z3="1.381789"/>
<atom elementType="H" id="a7" x3="-3.8793" y3="-0.372414" z3="1.767547"/>
<atom elementType="C" id="a8" x3="1.786011" y3="1.297812" z3="2.902539"/>
<atom elementType="H" id="a9" x3="2.676351" y3="1.706585" z3="3.420125"/>
<atom elementType="C" id="a10" x3="0.391125" y3="0.930776" z3="-1.223159"/>
<atom elementType="C" id="a11" x3="-0.254702" y3="0.011578" z3="-0.371272"/>
<atom elementType="C" id="a12" x3="-0.199703" y3="-1.360622" z3="-0.690742"/>
<atom elementType="C" id="a13" x3="1.066664" y3="0.491603" z3="-2.354477"/>
<atom elementType="C" id="a14" x3="1.121861" y3="-0.874115" z3="-2.644677"/>
<atom elementType="C" id="a15" x3="0.489656" y3="-1.801578" z3="-1.815439"/>
<atom elementType="H" id="a16" x3="-0.716693" y3="-2.081743" z3="-0.051384"/>
<atom elementType="H" id="a17" x3="0.532474" y3="-2.867309" z3="-2.051433"/>
<atom elementType="H" id="a18" x3="0.356424" y3="1.997523" z3="-0.988904"/>
<atom elementType="H" id="a19" x3="-1.438241" y3="0.371744" z3="0.002267"/>
<atom elementType="H" id="a20" x3="1.558225" y3="1.211119" z3="-3.013193"/>
<atom elementType="H" id="a21" x3="1.661169" y3="-1.218212" z3="-3.530922"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1028,.3989,1.6725;1.785,1.2173,1.6386;.7834,.9173,3.5521;-2.7969,.4156,.2496;-1.9148,-.3306,2.1594;-2.8786,-.0894,1.3818;-3.8793,-.3724,1.7675;1.786,1.2978,2.9025;2.6764,1.7066,3.4201;.3911,.9308,-1.2232;-.2547,.0116,-.3713;-.1997,-1.3606,-.6907;1.0667,.4916,-2.3545;1.1219,-.8741,-2.6447;.4897,-1.8016,-1.8154;-.7167,-2.0817,-.0514;.5325,-2.8673,-2.0514;.3564,1.9975,-.9889;-1.4382,.3717,.0023;1.5582,1.2111,-3.0132;1.6612,-1.2182,-3.5309;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.10212" y3="0.399109" z3="1.672689"/>
<atom elementType="O" id="a2" x3="1.785711" y3="1.218832" z3="1.63938"/>
<atom elementType="O" id="a3" x3="0.784857" y3="0.921113" z3="3.554033"/>
<atom elementType="O" id="a4" x3="-2.796538" y3="0.41241" z3="0.248833"/>
<atom elementType="O" id="a5" x3="-1.913227" y3="-0.330465" z3="2.16032"/>
<atom elementType="C" id="a6" x3="-2.877053" y3="-0.08999" z3="1.382085"/>
<atom elementType="H" id="a7" x3="-3.877883" y3="-0.372793" z3="1.767752"/>
<atom elementType="C" id="a8" x3="1.786495" y3="1.302043" z3="2.903171"/>
<atom elementType="H" id="a9" x3="2.675869" y3="1.71432" z3="3.419693"/>
<atom elementType="C" id="a10" x3="0.39235" y3="0.928598" z3="-1.219901"/>
<atom elementType="C" id="a11" x3="-0.255363" y3="0.008514" z3="-0.370733"/>
<atom elementType="C" id="a12" x3="-0.202644" y3="-1.362901" z3="-0.693342"/>
<atom elementType="C" id="a13" x3="1.068275" y3="0.490893" z3="-2.351766"/>
<atom elementType="C" id="a14" x3="1.121192" y3="-0.874032" z3="-2.645248"/>
<atom elementType="C" id="a15" x3="0.48642" y3="-1.802302" z3="-1.818729"/>
<atom elementType="H" id="a16" x3="-0.720918" y3="-2.084816" z3="-0.05583"/>
<atom elementType="H" id="a17" x3="0.527306" y3="-2.86753" z3="-2.057345"/>
<atom elementType="H" id="a18" x3="0.359584" y3="1.994865" z3="-0.983248"/>
<atom elementType="H" id="a19" x3="-1.43827" y3="0.37173" z3="-0.00116"/>
<atom elementType="H" id="a20" x3="1.561964" y3="1.211218" z3="-3.008006"/>
<atom elementType="H" id="a21" x3="1.66075" y3="-1.216996" z3="-3.531773"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1021,.3991,1.6727;1.7857,1.2188,1.6394;.7849,.9211,3.554;-2.7965,.4124,.2488;-1.9132,-.3305,2.1603;-2.8771,-.09,1.3821;-3.8779,-.3728,1.7678;1.7865,1.302,2.9032;2.6759,1.7143,3.4197;.3923,.9286,-1.2199;-.2554,.0085,-.3707;-.2026,-1.3629,-.6933;1.0683,.4909,-2.3518;1.1212,-.874,-2.6452;.4864,-1.8023,-1.8187;-.7209,-2.0848,-.0558;.5273,-2.8675,-2.0573;.3596,1.9949,-.9832;-1.4383,.3717,-.0012;1.562,1.2112,-3.008;1.6607,-1.217,-3.5318;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.102243" y3="0.398058" z3="1.672619"/>
<atom elementType="O" id="a2" x3="1.785375" y3="1.217014" z3="1.639055"/>
<atom elementType="O" id="a3" x3="0.783979" y3="0.916444" z3="3.552572"/>
<atom elementType="O" id="a4" x3="-2.796424" y3="0.415625" z3="0.250003"/>
<atom elementType="O" id="a5" x3="-1.914228" y3="-0.331447" z3="2.159471"/>
<atom elementType="C" id="a6" x3="-2.877997" y3="-0.089617" z3="1.382047"/>
<atom elementType="H" id="a7" x3="-3.878763" y3="-0.372534" z3="1.767775"/>
<atom elementType="C" id="a8" x3="1.785745" y3="1.298854" z3="2.902919"/>
<atom elementType="H" id="a9" x3="2.674235" y3="1.71198" z3="3.420232"/>
<atom elementType="C" id="a10" x3="0.392026" y3="0.930267" z3="-1.222466"/>
<atom elementType="C" id="a11" x3="-0.254489" y3="0.011022" z3="-0.371174"/>
<atom elementType="C" id="a12" x3="-0.200555" y3="-1.360999" z3="-0.691515"/>
<atom elementType="C" id="a13" x3="1.067331" y3="0.491295" z3="-2.354017"/>
<atom elementType="C" id="a14" x3="1.121443" y3="-0.874258" z3="-2.645116"/>
<atom elementType="C" id="a15" x3="0.488423" y3="-1.801749" z3="-1.816519"/>
<atom elementType="H" id="a16" x3="-0.718025" y3="-2.082162" z3="-0.052591"/>
<atom elementType="H" id="a17" x3="0.53035" y3="-2.867355" z3="-2.053235"/>
<atom elementType="H" id="a18" x3="0.358187" y3="1.996891" z3="-0.987536"/>
<atom elementType="H" id="a19" x3="-1.437731" y3="0.371839" z3="0.002057"/>
<atom elementType="H" id="a20" x3="1.559568" y3="1.210863" z3="-3.012172"/>
<atom elementType="H" id="a21" x3="1.660554" y3="-1.218209" z3="-3.531536"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1022,.3981,1.6726;1.7854,1.217,1.6391;.784,.9164,3.5526;-2.7964,.4156,.25;-1.9142,-.3314,2.1595;-2.878,-.0896,1.382;-3.8788,-.3725,1.7678;1.7857,1.2989,2.9029;2.6742,1.712,3.4202;.392,.9303,-1.2225;-.2545,.011,-.3712;-.2006,-1.361,-.6915;1.0673,.4913,-2.354;1.1214,-.8743,-2.6451;.4884,-1.8017,-1.8165;-.718,-2.0822,-.0526;.5303,-2.8674,-2.0532;.3582,1.9969,-.9875;-1.4377,.3718,.0021;1.5596,1.2109,-3.0122;1.6606,-1.2182,-3.5315;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="geometry">
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101854" y3="0.398244" z3="1.672823"/>
<atom elementType="O" id="a2" x3="1.785963" y3="1.217642" z3="1.639606"/>
<atom elementType="O" id="a3" x3="0.784799" y3="0.919189" z3="3.553867"/>
<atom elementType="O" id="a4" x3="-2.796217" y3="0.413783" z3="0.249274"/>
<atom elementType="O" id="a5" x3="-1.913361" y3="-0.331068" z3="2.160017"/>
<atom elementType="C" id="a6" x3="-2.877115" y3="-0.089773" z3="1.38202"/>
<atom elementType="H" id="a7" x3="-3.878005" y3="-0.372461" z3="1.767606"/>
<atom elementType="C" id="a8" x3="1.786215" y3="1.301273" z3="2.903334"/>
<atom elementType="H" id="a9" x3="2.674293" y3="1.716201" z3="3.419949"/>
<atom elementType="C" id="a10" x3="0.392502" y3="0.928864" z3="-1.220393"/>
<atom elementType="C" id="a11" x3="-0.254946" y3="0.008945" z3="-0.370789"/>
<atom elementType="C" id="a12" x3="-0.202157" y3="-1.362579" z3="-0.693015"/>
<atom elementType="C" id="a13" x3="1.068036" y3="0.490912" z3="-2.352352"/>
<atom elementType="C" id="a14" x3="1.12103" y3="-0.874135" z3="-2.645442"/>
<atom elementType="C" id="a15" x3="0.486701" y3="-1.802252" z3="-1.818442"/>
<atom elementType="H" id="a16" x3="-0.72028" y3="-2.084309" z3="-0.055187"/>
<atom elementType="H" id="a17" x3="0.5277" y3="-2.86755" z3="-2.056723"/>
<atom elementType="H" id="a18" x3="0.359635" y3="1.995189" z3="-0.984009"/>
<atom elementType="H" id="a19" x3="-1.437803" y3="0.371918" z3="-0.000136"/>
<atom elementType="H" id="a20" x3="1.561335" y3="1.211078" z3="-3.009058"/>
<atom elementType="H" id="a21" x3="1.660289" y3="-1.217287" z3="-3.532077"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.1019,.3982,1.6728;1.786,1.2176,1.6396;.7848,.9192,3.5539;-2.7962,.4138,.2493;-1.9134,-.3311,2.16;-2.8771,-.0898,1.382;-3.878,-.3725,1.7676;1.7862,1.3013,2.9033;2.6743,1.7162,3.4199;.3925,.9289,-1.2204;-.2549,.0089,-.3708;-.2022,-1.3626,-.693;1.068,.4909,-2.3524;1.121,-.8741,-2.6454;.4867,-1.8023,-1.8184;-.7203,-2.0843,-.0552;.5277,-2.8676,-2.0567;.3596,1.9952,-.984;-1.4378,.3719,-.0001;1.5613,1.2111,-3.0091;1.6603,-1.2173,-3.5321;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</scalar>
</formula>
</molecule>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.316177956093</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.319601077638</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.322239871111</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.324673004542</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.326869641763</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.328835275810</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.330580825397</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.332114897347</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.333449539802</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.334597965899</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.335576104161</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.336401775529</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.337094822440</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.337676199418</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.338164079120</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.338574892361</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.338921135843</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.339213282660</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.339459019061</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.339664871064</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.339835463429</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.339975812670</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340087022015</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340172025038</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340230827711</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340282625336</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340314201370</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340339902800</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340350937973</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340359680617</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340362150889</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365115440</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340364626054</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340364438607</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340362818743</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340362253636</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340359885417</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340360181887</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340355346286</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340357075593</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340355912370</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340348185211</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340351600127</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340353393456</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340355900406</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340357743035</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340359307588</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340361248965</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340363133480</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340364012626</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365469043</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365411046</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340366545785</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340366001815</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340366497547</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340366175775</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365569358</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365389150</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340363436134</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340363671580</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340362207842</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340362880644</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340362898407</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340363228824</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365116845</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365868556</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365803027</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365946778</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365597166</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365509951</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365682502</scalar>
</module>
<module cmlx:templateRef="finalspenergy">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340365762453</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">-0.179490 -0.120657 -0.136130 -0.134408 -0.063701 0.157138 0.027833 0.153434 0.017719 0.043861 -0.115960 0.029767 -0.029888 0.014187 -0.034853 0.046094 0.039229 0.053355 0.151793 0.039730 0.040947</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">17.6736 8.3633 8.3346 8.3079 8.3287 5.6639 0.9376 5.6174 0.9563 5.9192 6.4597 5.9364 6.0172 5.9969 6.0193 0.9492 0.9703 0.9407 0.6759 0.9701 0.9616</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">0.3264 -0.3633 -0.3346 -0.3079 -0.3287 0.3361 0.0624 0.3826 0.0437 0.0808 -0.4597 0.0636 -0.0172 0.0031 -0.0193 0.0508 0.0297 0.0593 0.3241 0.0299 0.0384</array>
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</module>
<module cmlx:templateRef="bonds">
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</module>
</module>
<module cmlx:templateRef="mullikenpopulation">
<module cmlx:templateRef="atomiccharges">
<scalar dataType="xsd:double" dictRef="x:chargesum">-0.0000000</scalar>
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<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">0.326368 -0.363342 -0.334614 -0.307948 -0.328717 0.336061 0.062370 0.382605 0.043660 0.080808 -0.459712 0.063572 -0.017168 0.003108 -0.019290 0.050763 0.029749 0.059339 0.324115 0.029865 0.038407</array>
</module>
</module>
<module cmlx:templateRef="orbitalenergies">
<list cmlx:templateRef="orbital">
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</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
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<module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
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0.134787 -0.105918 -0.021664 0.406327 0.064028 -0.003942 0.657925 0.125653 -0.000475 -0.001090 0.000653 -0.237426 -0.239611 0.173918 -0.301312 0.156611 0.264166 -0.000023 -0.000013 -0.000004 0.000065 0.000081 -0.000123 0.000106 0.000052 0.000003 -0.000150 0.000003 0.000114 -0.000002 0.000006 -0.000017 0.000054 0.000085 -0.000039 -0.000567 -0.000479 0.000081 -0.000220 -0.000146 0.000070 0.001109 0.000485 0.000227 0.003134 -0.055369 -0.012591 0.001287 0.001184 -0.001087 0.002278 0.002377 -0.001982 -0.042578 -0.040708 0.031659 -0.014008 0.010228 0.012595 0.000320 0.008734 0.000689 -0.022011 -0.024202 0.019001 0.004103 -0.089019 -0.013361 -0.006469 0.615995 0.120476 0.001983 -0.001182 -0.000658 0.463695 0.457429 -0.340107 0.152915 -0.082754 -0.134220</matrix>
</module>
</property>
<property dictRef="cc:irspectrum">
<module cmlx:templateRef="irspectrum">
<array dataType="xsd:integer" dictRef="cc:serial" size="56">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</array>
<array dataType="xsd:double" dictRef="cc:frequency" size="56">56.78 77.37 101.01 110.55 114.13 153.72 167.73 206.52 254.40 285.68 323.23 338.15 369.23 397.19 406.75 451.84 481.45 617.86 651.34 710.18 763.20 806.51 830.79 865.93 963.92 1002.03 1010.78 1025.64 1038.59 1047.31 1062.54 1068.31 1070.33 1113.45 1174.34 1200.40 1303.08 1330.88 1360.51 1378.81 1408.76 1437.77 1444.35 1498.84 1517.85 1635.73 1650.89 1656.50 1732.83 3049.12 3098.98 3193.73 3202.60 3214.60 3218.46 3231.60</array>
<array dataType="xsd:double" dictRef="o:t2" size="56">0.000325 0.000300 0.000603 0.002513 0.003931 0.000909 0.000276 0.000845 0.002675 0.005491 0.002575 0.005392 0.005486 0.000934 0.000121 0.006630 0.004962 0.000017 0.000185 0.002647 0.002077 0.002598 0.010064 0.000013 0.000131 0.000390 0.000105 0.001891 0.000032 0.000079 0.002617 0.000005 0.002884 0.001553 0.000108 0.000232 0.000903 0.002819 0.002022 0.001141 0.002581 0.008009 0.001037 0.000300 0.002268 0.000116 0.000565 0.007429 0.017650 0.002041 0.000712 0.000001 0.000034 0.000131 0.000089 0.000130</array>
<matrix cols="3" dataType="xsd:double" dictRef="cc:displacement" rows="56">-0.008490 0.007207 0.014166 -0.003543 -0.000072 0.016947 -0.006787 0.008680 0.021943 -0.009846 0.002772 -0.049080 0.030426 -0.011021 -0.053702 0.002919 0.009621 0.028421 -0.000238 0.010988 -0.012438 0.022224 0.017245 0.007351 -0.050345 -0.000319 0.011827 0.030013 0.021416 0.064276 -0.028257 0.042115 0.001639 0.058736 0.010937 0.042695 0.012132 -0.046457 -0.056397 0.022621 -0.020446 -0.001979 -0.008582 -0.004841 0.004839 -0.072926 -0.035868 0.004997 0.020972 -0.020240 -0.064130 -0.001287 -0.003778 0.000813 0.009356 0.000732 -0.009826 0.044716 -0.009753 0.023504 0.031936 -0.006282 0.031903 -0.035473 -0.009454 0.035354 -0.075412 -0.037477 -0.054517 0.001098 -0.002037 -0.002823 -0.008746 -0.003717 -0.006365 -0.008700 0.009484 0.014972 -0.003505 0.005959 0.007584 -0.010605 0.013691 0.039893 -0.003826 -0.001571 0.003913 0.003495 -0.007233 -0.003751 -0.011949 0.023447 0.043867 -0.000499 -0.001083 -0.001786 0.010856 0.030647 0.042737 0.001675 0.007245 0.038699 0.004886 0.008103 -0.004323 -0.005081 0.005233 0.013389 -0.010241 0.005096 0.027794 0.003913 -0.010758 0.051846 -0.004847 0.022524 -0.038611 -0.016835 -0.018137 0.022992 -0.043184 -0.020147 0.017618 -0.065219 -0.025397 -0.055770 -0.015710 -0.026259 -0.010037 0.012712 -0.011440 0.002771 -0.005172 -0.022251 0.041783 0.002840 -0.009556 0.004120 -0.012315 0.020255 -0.001629 0.016946 0.032398 -0.078055 -0.117501 0.056398 -0.025744 0.034886 0.017547 0.022712 0.023128 0.010584 -0.008075 0.000421 -0.000341 0.001013 0.005687 -0.000045 -0.001379 0.004022 0.010266 0.003018 0.003972 -0.006747 -0.005277 -0.003698 -0.003769 0.010112</matrix>
</module>
</property>
</propertyList>
<molecule id="molecule">
<atomArray>
<atom elementType="Pd" id="a1" x3="-0.101965" y3="0.39794" z3="1.672722"/>
<atom elementType="O" id="a2" x3="1.78571" y3="1.217205" z3="1.639433"/>
<atom elementType="O" id="a3" x3="0.784389" y3="0.917261" z3="3.553232"/>
<atom elementType="O" id="a4" x3="-2.796183" y3="0.414944" z3="0.24986"/>
<atom elementType="O" id="a5" x3="-1.913727" y3="-0.331559" z3="2.159678"/>
<atom elementType="C" id="a6" x3="-2.877502" y3="-0.089744" z3="1.382132"/>
<atom elementType="H" id="a7" x3="-3.878323" y3="-0.372559" z3="1.767798"/>
<atom elementType="C" id="a8" x3="1.785823" y3="1.300044" z3="2.903252"/>
<atom elementType="H" id="a9" x3="2.673631" y3="1.715007" z3="3.420285"/>
<atom elementType="C" id="a10" x3="0.392475" y3="0.92961" z3="-1.221556"/>
<atom elementType="C" id="a11" x3="-0.254565" y3="0.010125" z3="-0.371008"/>
<atom elementType="C" id="a12" x3="-0.201368" y3="-1.361669" z3="-0.69229"/>
<atom elementType="C" id="a13" x3="1.067774" y3="0.491055" z3="-2.35333"/>
<atom elementType="C" id="a14" x3="1.121151" y3="-0.874268" z3="-2.645401"/>
<atom elementType="C" id="a15" x3="0.487429" y3="-1.80198" z3="-1.817548"/>
<atom elementType="H" id="a16" x3="-0.719195" y3="-2.083049" z3="-0.053876"/>
<atom elementType="H" id="a17" x3="0.528747" y3="-2.867439" z3="-2.055037"/>
<atom elementType="H" id="a18" x3="0.359252" y3="1.996094" z3="-0.985915"/>
<atom elementType="H" id="a19" x3="-1.437621" y3="0.371858" z3="0.001207"/>
<atom elementType="H" id="a20" x3="1.560588" y3="1.210847" z3="-3.010808"/>
<atom elementType="H" id="a21" x3="1.660239" y3="-1.217898" z3="-3.531958"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a11" order="S"/>
<bond atomRefs2="a1 a5" 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 a14" order="S"/>
<bond atomRefs2="a13 a20" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a14 a15" 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;-1;+3/rC8H8O4Pd/c9-6-10-13(11-7-12-13)8-4-2-1-3-5-8/h1-8H">
<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;1.3,2-1,3-1;1.3,2.1,3-1;/rA:21nPdOOO1OC3HC3HC3CC3C3C3C3HHHHHH/rB:s1;s1;;s1;s4s5;s6;s2s3;s8;;s1s10;s11;s10;s13;s12s14;s12;s15;s10;s11;s13;s14;/rC:-.102,.3979,1.6727;1.7857,1.2172,1.6394;.7844,.9173,3.5532;-2.7962,.4149,.2499;-1.9137,-.3316,2.1597;-2.8775,-.0897,1.3821;-3.8783,-.3726,1.7678;1.7858,1.3,2.9033;2.6736,1.715,3.4203;.3925,.9296,-1.2216;-.2546,.0101,-.371;-.2014,-1.3617,-.6923;1.0678,.4911,-2.3533;1.1212,-.8743,-2.6454;.4874,-1.802,-1.8175;-.7192,-2.083,-.0539;.5287,-2.8674,-2.055;.3593,1.9961,-.9859;-1.4376,.3719,.0012;1.5606,1.2108,-3.0108;1.6602,-1.2179,-3.532;/R:/0/N:14,13,15,10,12,6,8,11,4,5,2,3,1/E:(2,3)(4,5)(11,12)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,9.1</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">-737.29266320</scalar>
<scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">937.09883329</scalar>
<scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-1674.39149649</scalar>
<scalar dataType="xsd:double" dictRef="cc:oneelecener" units="nonsi:hartree">-2920.54877105</scalar>
<scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1246.15727456</scalar>
<scalar dataType="xsd:double" dictRef="cc:potentialEnergy" units="nonsi:hartree">-1389.43676572</scalar>
<scalar dataType="xsd:double" dictRef="cc:kineticenergy" units="nonsi:hartree">652.14410252</scalar>
<scalar dataType="xsd:double" dictRef="o:vircoeff">2.13056709</scalar>
<list id="dftcomponents">
<scalar dataType="xsd:double" dictRef="cc:alphae">52.999985493735</scalar>
<scalar dataType="xsd:double" dictRef="cc:betae">52.999985493735</scalar>
<scalar dataType="xsd:double" dictRef="cc:totale">105.999970987470</scalar>
<scalar dataType="xsd:double" dictRef="o:exchangeener" units="nonsi:hartree">-66.660552767554</scalar>
<scalar dataType="xsd:double" dictRef="o:correlationener" units="nonsi:hartree">-3.758531360874</scalar>
<scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-70.419084128428</scalar>
</list>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023514757</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">-737.31617796</scalar>
<scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.14554095</scalar>
<scalar dataType="xsd:double" dictRef="o:thermalvibcorrection" units="nonsi:hartree">0.00981826</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">-737.15798620</scalar>
</module>
<module cmlx:templateRef="corrections">
<scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01265080</scalar>
<scalar dataType="xsd:double" dictRef="o:nonthermalcorr" units="nonsi:hartree">0.14554095</scalar>
<scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.15819176</scalar>
</module>
</module>
<module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-737.15798620</scalar>
<scalar dataType="xsd:double" dictRef="o:thermalcorrenthalpy" units="nonsi:hartree">0.00094421</scalar>
<scalar dataType="xsd:double" dictRef="o:totalenthalpy" units="nonsi:hartree">-737.15704199</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">0.01728697</scalar>
<scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01507803</scalar>
<scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.02030161</scalar>
<scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.05266661</scalar>
</module>
<module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:totalenthalpy" units="nonsi:hartree">-737.15704199</scalar>
<scalar dataType="xsd:double" dictRef="o:totalentropycorr" units="nonsi:hartree">-0.05266661</scalar>
<scalar dataType="xsd:double" dictRef="o:gibbsenthalpy" units="nonsi:hartree">-737.20970860</scalar>
<scalar dataType="xsd:double" dictRef="o:gibbsminuselec" units="nonsi:hartree">0.10646936</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023395756</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023308345</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023230676</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023163408</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023106719</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023059514</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.023020936</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022989654</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022964251</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022943145</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022924897</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022908413</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022892742</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022877450</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022862242</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022846870</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022831431</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022815507</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022799670</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022783251</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022767774</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022750510</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022737972</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022720398</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022710335</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022694394</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022684741</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022672822</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022666549</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022660426</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022657132</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022655767</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022653133</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022654720</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651530</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022654535</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651136</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022654085</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022650935</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652857</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022648447</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652563</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652374</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651712</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652595</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651745</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652344</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652360</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652484</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652779</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652523</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652881</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652182</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652694</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651756</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652543</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651413</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652450</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651108</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651834</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651342</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651176</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652113</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651177</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652958</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651367</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022653246</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022651878</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022653057</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652157</scalar>
</module>
<module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.022652761</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">-523.7331 -523.4437 -523.2531 -523.2488 -282.2195 -282.0462 -279.3195 -279.3179 -279.2666 -279.1246 -279.1133 -279.0928 -96.3500 -60.4665 -60.3215 -59.3317 -30.6833 -30.5898 -28.1027 -27.6040 -24.3041 -21.2810 -21.2627 -17.7072 -17.2845 -17.0391 -16.8660 -15.2512 -14.6567 -14.1411 -14.1208 -13.5617 -13.2771 -13.0741 -12.9629 -12.8580 -12.3113 -12.1848 -11.4355 -10.6328 -10.2901 -10.1668 -9.9188 -9.7385 -9.2187 -9.0789 -8.8877 -8.2667 -8.1941 -7.9019 -7.7306 -7.4152 -7.2656 -2.9114 -0.8122 -0.5982 -0.0572 0.2362 1.0173 1.1903 1.8476 1.9755 2.5486 2.9278 2.9418 3.2070 3.3429 3.8046 4.4975 4.6694 5.4440 6.1866 7.0469 7.3087 7.6907 7.8185 7.9214 8.3212 8.4024 8.8105 9.5026 10.5836 10.7844 11.2196 11.3318 11.5265 12.0835 12.6816 12.9567 12.9986 13.2278 13.4664 13.5458 14.0928 14.6322 14.6994 14.8735 15.1327 15.3286 15.8954 16.3286 16.4153 16.4992 16.8105 17.0639 17.1598 17.5844 18.0161 18.3377 18.6453 19.0908 19.1977 19.6323 19.8007 20.0060 20.4088 20.9334 21.1234 21.7160 22.6832 23.0417 23.8583 24.3735 24.9409 25.8500 27.4540 27.8725 27.9996 28.9431 29.3527 29.6178 29.7423 30.1204 31.0567 31.3753 32.5023 32.6341 33.5887 33.9917 34.5180 34.6841 35.3003 35.4959 36.5006 36.5354 37.1736 37.5080 38.0857 39.6496 40.0915 41.5984 43.0795 43.4958 43.7710 44.4205 44.7204 45.3213 45.3821 45.4632 46.0973 46.2183 47.1144 47.4708 47.5875 47.8150 48.0538 48.3272 48.9289 49.1695 49.3440 50.1074 50.6176 52.1753 52.5017 52.8133 53.7145 54.0186 54.0969 54.4454 54.7649 56.6373 56.8017 57.0550 57.9137 58.2099 58.9416 60.0188 60.5363 61.9577 62.6604 62.9692 63.2214 63.7095 63.9519 64.2169 64.6029 64.7837 65.0393 65.3126 65.8443 66.2154 66.5356 67.6584 69.7740 70.7305 71.3183 71.4007 71.6930 71.9221 72.4845 73.0852 73.6605 73.8512 74.3100 74.5658 75.9832 76.8726 78.3176 78.5387 78.8880 80.5429 81.2304 81.5860 82.2505 82.8965 84.7824 84.9992 86.0173 86.9908 87.2582 90.5504 92.5435 94.6292 96.6598 97.3732 98.7856 98.8700 100.8347 1400.9937</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">0.283713 -0.357119 -0.338219 -0.307455 -0.354597 0.327325 0.063579 0.399489 0.045449 0.060643 -0.327011 0.042079 -0.015119 -0.001495 -0.011653 0.046681 0.029129 0.046922 0.301791 0.030028 0.035839</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">-0.197778 -0.113260 -0.121152 -0.141150 -0.086608 0.140105 0.029810 0.162783 0.019669 0.038168 -0.065879 0.030072 -0.027960 0.004933 -0.030652 0.051350 0.039174 0.052989 0.136024 0.039602 0.039762</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">17.7163 8.3571 8.3382 8.3075 8.3546 5.6727 0.9364 5.6005 0.9546 5.9394 6.3270 5.9579 6.0151 6.0015 6.0117 0.9533 0.9709 0.9531 0.6982 0.9700 0.9642</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">0.2837 -0.3571 -0.3382 -0.3075 -0.3546 0.3273 0.0636 0.3995 0.0454 0.0606 -0.3270 0.0421 -0.0151 -0.0015 -0.0117 0.0467 0.0291 0.0469 0.3018 0.0300 0.0358</array>
<array dataType="xsd:double" dictRef="o:va" size="21">2.6749 2.1944 2.1970 2.2069 2.2068 4.0649 0.9845 3.9507 0.9851 3.8860 3.7974 3.8947 3.8668 3.8434 3.8704 0.9870 0.9823 0.9833 0.9608 0.9821 0.9809</array>
<array dataType="xsd:double" dictRef="o:bva" size="21">2.6749 2.1944 2.1970 2.2069 2.2068 4.0649 0.9845 3.9507 0.9851 3.8860 3.7974 3.8947 3.8668 3.8434 3.8704 0.9870 0.9823 0.9833 0.9608 0.9821 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="25">0.5753 0.4859 0.5794 0.6600 0.1041 1.4316 1.5160 0.1038 1.6211 0.3786 1.4583 0.9355 0.9505 1.3052 1.4339 0.9766 1.3113 0.4258 1.4266 0.9685 1.3708 0.9849 1.3815 0.9816 0.9846</array>
<matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="25">0 1 0 2 0 4 0 10 1 2 1 7 2 7 3 4 3 5 3 18 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">-0.022652333</scalar>
</module>
<module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-737.340366020829</scalar>
</module>
<module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
<array dataType="xsd:double" dictRef="cc:dipole" size="9">1.85567 -1.52516 0.33050 -14.75230 14.47236 -0.27994 -64.30207 63.41699 -0.88508</array>
<scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">0.98538</scalar>
<scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">2.50462</scalar>
</module>
</module>
</module>
</module>
</module>
</module>
