<?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">6.0.1</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="3">1 2 3</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="3">11s6p2d1f 11s6p2d1f 5s2p1d</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="3">5s3p2d1f 5s3p2d1f 3s2p1d</array>
                  </list>
                  <list dictRef="atombasis">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="33">1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3</array>
                  </list>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="-0.998202"
                        y3="-0.7544"
                        z3="-0.486154"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-3.747102"
                        y3="-1.156058"
                        z3="1.036707"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-3.330244"
                        y3="-1.075841"
                        z3="-0.453847"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-4.987349"
                        y3="-2.022814"
                        z3="1.192767"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-2.120627"
                        y3="-0.229138"
                        z3="-0.564103"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.300845"
                        y3="1.22829"
                        z3="-0.731718"/>
                  <atom elementType="H"
                        id="a7"
                        x3="-3.114084"
                        y3="-2.08767"
                        z3="-0.799019"/>
                  <atom elementType="H"
                        id="a8"
                        x3="-4.156095"
                        y3="-0.653062"
                        z3="-1.024731"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-2.925124"
                        y3="-1.579656"
                        z3="1.615695"/>
                  <atom elementType="H"
                        id="a10"
                        x3="-3.950849"
                        y3="-0.153148"
                        z3="1.41494"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-4.801788"
                        y3="-3.033905"
                        z3="0.840506"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-5.822526"
                        y3="-1.609038"
                        z3="0.63379"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-5.268553"
                        y3="-2.072433"
                        z3="2.241108"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.546339"
                        y3="1.418973"
                        z3="-1.77894"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.40049"
                        y3="1.787308"
                        z3="-0.485574"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-3.144472"
                        y3="1.58732"
                        z3="-0.146619"/>
                  <atom elementType="H"
                        id="a17"
                        x3="0.000953"
                        y3="-0.027881"
                        z3="-0.510609"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.005867"
                        y3="0.706526"
                        z3="-0.52485"/>
                  <atom elementType="C"
                        id="a19"
                        x3="3.728242"
                        y3="1.237067"
                        z3="1.004026"/>
                  <atom elementType="C"
                        id="a20"
                        x3="3.33622"
                        y3="1.042536"
                        z3="-0.482489"/>
                  <atom elementType="C"
                        id="a21"
                        x3="4.96204"
                        y3="2.119914"
                        z3="1.114582"/>
                  <atom elementType="C"
                        id="a22"
                        x3="2.131308"
                        y3="0.183876"
                        z3="-0.547925"/>
                  <atom elementType="C"
                        id="a23"
                        x3="2.321206"
                        y3="-1.281234"
                        z3="-0.6058"/>
                  <atom elementType="H"
                        id="a24"
                        x3="4.172669"
                        y3="0.582098"
                        z3="-1.006885"/>
                  <atom elementType="H"
                        id="a25"
                        x3="3.12182"
                        y3="2.024305"
                        z3="-0.90658"/>
                  <atom elementType="H"
                        id="a26"
                        x3="2.895025"
                        y3="1.698402"
                        z3="1.536287"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.930002"
                        y3="0.266549"
                        z3="1.45994"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.808071"
                        y3="1.669874"
                        z3="0.60185"/>
                  <atom elementType="H"
                        id="a29"
                        x3="4.777977"
                        y3="3.100598"
                        z3="0.684221"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.225712"
                        y3="2.249768"
                        z3="2.160595"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.15544"
                        y3="-1.591343"
                        z3="0.019339"/>
                  <atom elementType="H"
                        id="a32"
                        x3="1.419218"
                        y3="-1.826175"
                        z3="-0.33538"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.586979"
                        y3="-1.546236"
                        z3="-1.631604"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a16" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a20 a25" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
               </bondArray>
               <formula concise="C10H21O2">
                  <atomArray count="10 21 2" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">152.1058</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9982,-.7544,-.4862;-3.7471,-1.1561,1.0367;-3.3302,-1.0758,-.4538;-4.9873,-2.0228,1.1928;-2.1206,-.2291,-.5641;-2.3008,1.2283,-.7317;-3.1141,-2.0877,-.799;-4.1561,-.6531,-1.0247;-2.9251,-1.5797,1.6157;-3.9508,-.1531,1.4149;-4.8018,-3.0339,.8405;-5.8225,-1.609,.6338;-5.2686,-2.0724,2.2411;-2.5463,1.419,-1.7789;-1.4005,1.7873,-.4856;-3.1445,1.5873,-.1466;.001,-.0279,-.5106;1.0059,.7065,-.5249;3.7282,1.2371,1.004;3.3362,1.0425,-.4825;4.962,2.1199,1.1146;2.1313,.1839,-.5479;2.3212,-1.2812,-.6058;4.1727,.5821,-1.0069;3.1218,2.0243,-.9066;2.895,1.6984,1.5363;3.93,.2665,1.4599;5.8081,1.6699,.6018;4.778,3.1006,.6842;5.2257,2.2498,2.1606;3.1554,-1.5913,.0193;1.4192,-1.8262,-.3354;2.587,-1.5462,-1.6316;</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">WB97X-D3</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-D3</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">0.195728</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</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>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804272</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.250000</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">819</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">Pentanone_protonate_dimer_49</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">1</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">96</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">666</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">709.2164603512 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">CNVKDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</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">50</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">24</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    (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</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">1.000e-02</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-04</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">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</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">Pseudo random numbers</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Inactive MOs</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">canonical</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">Preconditioner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Diag</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Full preconditioner red. dimension</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">250</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFHessUp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">L-BFGS</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>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</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>
               <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">WB97X-D3</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-D3</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">0.195728</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ScalDFX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.000000</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>
                     <scalar dataType="xsd:string" dictRef="o:comment">Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on</scalar>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Amount of maximum screened exact exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.804272</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Range separation parameter mu (erf(mu*r12)/r12)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.250000</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">819</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">Pentanone_protonate_dimer_49</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">1</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">96</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">666</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">709.3978013710 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">CNVKDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</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">24</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    (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</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">1.000e-02</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-04</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">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</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">Pseudo random numbers</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Inactive MOs</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">canonical</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">Preconditioner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Diag</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Full preconditioner red. dimension</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">250</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">150</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.003300</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SOSCFHessUp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">L-BFGS</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>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-11 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.500e-12 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Tolerance">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvCheckMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Total+1el-Energy</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ConvForced</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolE</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">1-El. energy change</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-05</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>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="O"
                                 id="a1"
                                 x3="-0.99820212"
                                 y3="-0.75440036"
                                 z3="-0.48615405">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="-3.74710212"
                                 y3="-1.15605754"
                                 z3="1.03670726">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="-3.33024425"
                                 y3="-1.07584107"
                                 z3="-0.45384744">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="-4.98734867"
                                 y3="-2.0228136"
                                 z3="1.19276722">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="-2.12062674"
                                 y3="-0.22913785"
                                 z3="-0.56410303">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="-2.3008454"
                                 y3="1.22828997"
                                 z3="-0.73171798">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="-3.11408431"
                                 y3="-2.08766993"
                                 z3="-0.79901906">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="-4.15609531"
                                 y3="-0.65306214"
                                 z3="-1.024731">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="-2.92512359"
                                 y3="-1.57965562"
                                 z3="1.61569473">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="-3.95084932"
                                 y3="-0.15314846"
                                 z3="1.41493993">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-4.80178813"
                                 y3="-3.03390487"
                                 z3="0.84050622">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-5.82252579"
                                 y3="-1.60903815"
                                 z3="0.63378987">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="-5.26855294"
                                 y3="-2.07243281"
                                 z3="2.24110801">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-2.54633934"
                                 y3="1.41897344"
                                 z3="-1.77894028">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="-1.4004899"
                                 y3="1.78730836"
                                 z3="-0.48557359">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-3.14447231"
                                 y3="1.58732042"
                                 z3="-0.14661936">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="0.00095333"
                                 y3="-0.0278809"
                                 z3="-0.51060916">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a18"
                                 x3="1.00586673"
                                 y3="0.70652631"
                                 z3="-0.52484965">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="3.72824177"
                                 y3="1.23706684"
                                 z3="1.0040264">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a20"
                                 x3="3.3362201"
                                 y3="1.04253558"
                                 z3="-0.48248901">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="4.96204041"
                                 y3="2.11991411"
                                 z3="1.11458229">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a22"
                                 x3="2.13130777"
                                 y3="0.18387635"
                                 z3="-0.54792482">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a23"
                                 x3="2.3212065"
                                 y3="-1.2812344"
                                 z3="-0.60580003">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="4.17266851"
                                 y3="0.58209799"
                                 z3="-1.00688542">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="3.12182041"
                                 y3="2.02430509"
                                 z3="-0.90658003">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="2.89502497"
                                 y3="1.69840205"
                                 z3="1.53628686">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="3.93000151"
                                 y3="0.26654949"
                                 z3="1.45994021">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="5.80807055"
                                 y3="1.66987356"
                                 z3="0.60185022">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="4.77797715"
                                 y3="3.10059811"
                                 z3="0.68422134">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="5.22571185"
                                 y3="2.24976843"
                                 z3="2.16059541">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="3.15544021"
                                 y3="-1.59134259"
                                 z3="0.01933862">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="1.41921786"
                                 y3="-1.82617545"
                                 z3="-0.33537996">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="2.58697925"
                                 y3="-1.54623602"
                                 z3="-1.63160372">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a17" order="S"/>
                           <bond atomRefs2="a1 a5" order="S"/>
                           <bond atomRefs2="a2 a4" order="S"/>
                           <bond atomRefs2="a2 a9" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a10" order="S"/>
                           <bond atomRefs2="a3 a7" order="S"/>
                           <bond atomRefs2="a3 a5" order="S"/>
                           <bond atomRefs2="a3 a8" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a4 a11" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a14" order="S"/>
                           <bond atomRefs2="a6 a16" order="S"/>
                           <bond atomRefs2="a6 a15" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a18 a22" order="S"/>
                           <bond atomRefs2="a19 a20" order="S"/>
                           <bond atomRefs2="a19 a21" order="S"/>
                           <bond atomRefs2="a19 a26" order="S"/>
                           <bond atomRefs2="a19 a27" order="S"/>
                           <bond atomRefs2="a20 a25" order="S"/>
                           <bond atomRefs2="a20 a24" order="S"/>
                           <bond atomRefs2="a20 a22" order="S"/>
                           <bond atomRefs2="a21 a30" order="S"/>
                           <bond atomRefs2="a21 a29" order="S"/>
                           <bond atomRefs2="a21 a28" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a23 a33" order="S"/>
                           <bond atomRefs2="a23 a31" order="S"/>
                           <bond atomRefs2="a23 a32" order="S"/>
                        </bondArray>
                        <formula concise="C10H21O2">
                           <atomArray count="10 21 2" elementType="C H O"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">152.1058</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9982,-.7544,-.4862;-3.7471,-1.1561,1.0367;-3.3302,-1.0758,-.4538;-4.9873,-2.0228,1.1928;-2.1206,-.2291,-.5641;-2.3008,1.2283,-.7317;-3.1141,-2.0877,-.799;-4.1561,-.6531,-1.0247;-2.9251,-1.5797,1.6157;-3.9508,-.1531,1.4149;-4.8018,-3.0339,.8405;-5.8225,-1.609,.6338;-5.2686,-2.0724,2.2411;-2.5463,1.419,-1.7789;-1.4005,1.7873,-.4856;-3.1445,1.5873,-.1466;.001,-.0279,-.5106;1.0059,.7065,-.5248;3.7282,1.2371,1.004;3.3362,1.0425,-.4825;4.962,2.1199,1.1146;2.1313,.1839,-.5479;2.3212,-1.2812,-.6058;4.1727,.5821,-1.0069;3.1218,2.0243,-.9066;2.895,1.6984,1.5363;3.93,.2665,1.4599;5.8081,1.6699,.6019;4.778,3.1006,.6842;5.2257,2.2498,2.1606;3.1554,-1.5913,.0193;1.4192,-1.8262,-.3354;2.587,-1.5462,-1.6316;</scalar>
                        </formula>
                     </molecule>
                     <scalar dataType="xsd:integer" dictRef="o:charge">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:multiplicity">1</scalar>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="9">wB97X-D3 TightOpt Freq def2-TZVPP def2/J RIJCOSX TightSCF defgrid3 CHELPG</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">29796</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">pal</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">nprocs 8</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">chelpg</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">grid 0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">rmax 3.0</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="O"
                              id="a1"
                              x3="-0.963693"
                              y3="-0.72517"
                              z3="-0.482557"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.711741"
                              y3="-1.152199"
                              z3="1.035408"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.286424"
                              y3="-1.059985"
                              z3="-0.452911"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.948043"
                              y3="-2.029744"
                              z3="1.192409"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.0854"
                              y3="-0.199317"
                              z3="-0.560147"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.260297"
                              y3="1.264488"
                              z3="-0.729626"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.056852"
                              y3="-2.062984"
                              z3="-0.811785"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.108989"
                              y3="-0.638733"
                              z3="-1.030755"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.884987"
                              y3="-1.566338"
                              z3="1.614775"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.91941"
                              y3="-0.151944"
                              z3="1.421537"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.757584"
                              y3="-3.042119"
                              z3="0.836188"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.791669"
                              y3="-1.622481"
                              z3="0.634778"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.232774"
                              y3="-2.088252"
                              z3="2.241873"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.508747"
                              y3="1.449741"
                              z3="-1.77912"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.361349"
                              y3="1.825682"
                              z3="-0.484992"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.104984"
                              y3="1.622725"
                              z3="-0.14337"/>
                        <atom elementType="H"
                              id="a17"
                              x3="0.000941"
                              y3="-0.02749"
                              z3="-0.505572"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.971327"
                              y3="0.677411"
                              z3="-0.518517"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.691895"
                              y3="1.234924"
                              z3="1.003135"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.2925"
                              y3="1.026135"
                              z3="-0.480344"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.923417"
                              y3="2.126262"
                              z3="1.113085"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.095992"
                              y3="0.153997"
                              z3="-0.54138"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.280407"
                              y3="-1.317499"
                              z3="-0.603905"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.126169"
                              y3="0.565601"
                              z3="-1.010326"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.065728"
                              y3="1.997171"
                              z3="-0.9199"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.854328"
                              y3="1.68974"
                              z3="1.534488"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.894972"
                              y3="0.268272"
                              z3="1.4691"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.777473"
                              y3="1.680004"
                              z3="0.603211"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.737024"
                              y3="3.107387"
                              z3="0.676354"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.189792"
                              y3="2.266731"
                              z3="2.1596"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.115234"
                              y3="-1.628413"
                              z3="0.022198"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.379536"
                              y3="-1.865222"
                              z3="-0.336801"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.550266"
                              y3="-1.575006"
                              z3="-1.632603"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9637,-.7252,-.4826;-3.7117,-1.1522,1.0354;-3.2864,-1.06,-.4529;-4.948,-2.0297,1.1924;-2.0854,-.1993,-.5601;-2.2603,1.2645,-.7296;-3.0569,-2.063,-.8118;-4.109,-.6387,-1.0308;-2.885,-1.5663,1.6148;-3.9194,-.1519,1.4215;-4.7576,-3.0421,.8362;-5.7917,-1.6225,.6348;-5.2328,-2.0883,2.2419;-2.5087,1.4497,-1.7791;-1.3613,1.8257,-.485;-3.105,1.6227,-.1434;.0009,-.0275,-.5056;.9713,.6774,-.5185;3.6919,1.2349,1.0031;3.2925,1.0261,-.4803;4.9234,2.1263,1.1131;2.096,.154,-.5414;2.2804,-1.3175,-.6039;4.1262,.5656,-1.0103;3.0657,1.9972,-.9199;2.8543,1.6897,1.5345;3.895,.2683,1.4691;5.7775,1.68,.6032;4.737,3.1074,.6764;5.1898,2.2667,2.1596;3.1152,-1.6284,.0222;1.3795,-1.8652,-.3368;2.5503,-1.575,-1.6326;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.974035"
                              y3="-0.71845"
                              z3="-0.490289"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.716287"
                              y3="-1.162651"
                              z3="1.032897"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.294414"
                              y3="-1.05356"
                              z3="-0.453731"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.953026"
                              y3="-2.039493"
                              z3="1.187684"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.095261"
                              y3="-0.189215"
                              z3="-0.558927"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.263789"
                              y3="1.278268"
                              z3="-0.718601"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.061851"
                              y3="-2.048876"
                              z3="-0.830853"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.116638"
                              y3="-0.625532"
                              z3="-1.028198"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.886248"
                              y3="-1.581201"
                              z3="1.604778"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.91816"
                              y3="-0.166435"
                              z3="1.433127"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.767804"
                              y3="-3.049038"
                              z3="0.819183"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.800551"
                              y3="-1.62644"
                              z3="0.639325"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.234757"
                              y3="-2.11114"
                              z3="2.237406"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.519999"
                              y3="1.466884"
                              z3="-1.76589"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.362821"
                              y3="1.836162"
                              z3="-0.476269"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.104696"
                              y3="1.633229"
                              z3="-0.124409"/>
                        <atom elementType="H"
                              id="a17"
                              x3="0.000899"
                              y3="-0.027215"
                              z3="-0.513252"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.982163"
                              y3="0.670956"
                              z3="-0.526131"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.695575"
                              y3="1.245766"
                              z3="0.999401"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.300971"
                              y3="1.019788"
                              z3="-0.481285"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.928836"
                              y3="2.134376"
                              z3="1.108026"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.106084"
                              y3="0.144497"
                              z3="-0.540673"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.283616"
                              y3="-1.330034"
                              z3="-0.592521"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.134583"
                              y3="0.552188"
                              z3="-1.006368"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.072137"
                              y3="1.981594"
                              z3="-0.939097"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.854923"
                              y3="1.706068"
                              z3="1.521525"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.890545"
                              y3="0.284236"
                              z3="1.479918"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.786557"
                              y3="1.681369"
                              z3="0.609309"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.74999"
                              y3="3.11172"
                              z3="0.658462"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.191165"
                              y3="2.288295"
                              z3="2.15394"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.114285"
                              y3="-1.637185"
                              z3="0.041507"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.380567"
                              y3="-1.874354"
                              z3="-0.328045"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.561498"
                              y3="-1.591203"
                              z3="-1.618421"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.974,-.7185,-.4903;-3.7163,-1.1627,1.0329;-3.2944,-1.0536,-.4537;-4.953,-2.0395,1.1877;-2.0953,-.1892,-.5589;-2.2638,1.2783,-.7186;-3.0619,-2.0489,-.8309;-4.1166,-.6255,-1.0282;-2.8862,-1.5812,1.6048;-3.9182,-.1664,1.4331;-4.7678,-3.049,.8192;-5.8006,-1.6264,.6393;-5.2348,-2.1111,2.2374;-2.52,1.4669,-1.7659;-1.3628,1.8362,-.4763;-3.1047,1.6332,-.1244;.0009,-.0272,-.5133;.9822,.671,-.5261;3.6956,1.2458,.9994;3.301,1.0198,-.4813;4.9288,2.1344,1.108;2.1061,.1445,-.5407;2.2836,-1.33,-.5925;4.1346,.5522,-1.0064;3.0721,1.9816,-.9391;2.8549,1.7061,1.5215;3.8905,.2842,1.4799;5.7866,1.6814,.6093;4.75,3.1117,.6585;5.1912,2.2883,2.1539;3.1143,-1.6372,.0415;1.3806,-1.8744,-.328;2.5615,-1.5912,-1.6184;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.979185"
                              y3="-0.712758"
                              z3="-0.464795"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.733363"
                              y3="-1.164451"
                              z3="1.034191"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.296549"
                              y3="-1.060237"
                              z3="-0.445332"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.969533"
                              y3="-2.04037"
                              z3="1.183361"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.101868"
                              y3="-0.187922"
                              z3="-0.548222"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.269232"
                              y3="1.278186"
                              z3="-0.725765"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.049862"
                              y3="-2.051849"
                              z3="-0.823383"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.112608"
                              y3="-0.639169"
                              z3="-1.034795"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.90651"
                              y3="-1.57638"
                              z3="1.616042"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.936536"
                              y3="-0.166707"
                              z3="1.430649"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.782986"
                              y3="-3.051576"
                              z3="0.819993"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.814282"
                              y3="-1.631939"
                              z3="0.627349"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.262042"
                              y3="-2.110461"
                              z3="2.230094"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.524611"
                              y3="1.44931"
                              z3="-1.776187"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.370464"
                              y3="1.840213"
                              z3="-0.486744"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.113683"
                              y3="1.635948"
                              z3="-0.137859"/>
                        <atom elementType="H"
                              id="a17"
                              x3="0.000734"
                              y3="-0.026645"
                              z3="-0.48773"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.987482"
                              y3="0.666391"
                              z3="-0.50064"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.711888"
                              y3="1.247834"
                              z3="1.000245"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.30326"
                              y3="1.02708"
                              z3="-0.474242"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.944387"
                              y3="2.135366"
                              z3="1.104195"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.113158"
                              y3="0.143565"
                              z3="-0.530963"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.290323"
                              y3="-1.330772"
                              z3="-0.600682"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.131438"
                              y3="0.56555"
                              z3="-1.014427"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.059893"
                              y3="1.985006"
                              z3="-0.932827"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.8737"
                              y3="1.70213"
                              z3="1.532165"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.908094"
                              y3="0.284532"
                              z3="1.477319"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.80002"
                              y3="1.686556"
                              z3="0.598196"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.764228"
                              y3="3.114702"
                              z3="0.659416"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.216646"
                              y3="2.287692"
                              z3="2.147662"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.12462"
                              y3="-1.640913"
                              z3="0.027534"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.389687"
                              y3="-1.879753"
                              z3="-0.339436"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.567815"
                              y3="-1.574785"
                              z3="-1.630855"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9792,-.7128,-.4648;-3.7334,-1.1645,1.0342;-3.2965,-1.0602,-.4453;-4.9695,-2.0404,1.1834;-2.1019,-.1879,-.5482;-2.2692,1.2782,-.7258;-3.0499,-2.0518,-.8234;-4.1126,-.6392,-1.0348;-2.9065,-1.5764,1.616;-3.9365,-.1667,1.4306;-4.783,-3.0516,.82;-5.8143,-1.6319,.6273;-5.262,-2.1105,2.2301;-2.5246,1.4493,-1.7762;-1.3705,1.8402,-.4867;-3.1137,1.6359,-.1379;.0007,-.0266,-.4877;.9875,.6664,-.5006;3.7119,1.2478,1.0002;3.3033,1.0271,-.4742;4.9444,2.1354,1.1042;2.1132,.1436,-.531;2.2903,-1.3308,-.6007;4.1314,.5655,-1.0144;3.0599,1.985,-.9328;2.8737,1.7021,1.5322;3.9081,.2845,1.4773;5.8,1.6866,.5982;4.7642,3.1147,.6594;5.2166,2.2877,2.1477;3.1246,-1.6409,.0275;1.3897,-1.8798,-.3394;2.5678,-1.5748,-1.6309;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.984213"
                              y3="-0.705882"
                              z3="-0.50381"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.716353"
                              y3="-1.182953"
                              z3="1.027022"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.303525"
                              y3="-1.040407"
                              z3="-0.455325"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.957174"
                              y3="-2.052056"
                              z3="1.172227"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.104776"
                              y3="-0.172647"
                              z3="-0.555508"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.265619"
                              y3="1.298008"
                              z3="-0.692662"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.068514"
                              y3="-2.021952"
                              z3="-0.8661"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.126124"
                              y3="-0.598672"
                              z3="-1.020156"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.883545"
                              y3="-1.617659"
                              z3="1.58334"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.903678"
                              y3="-0.195084"
                              z3="1.454912"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.786177"
                              y3="-3.053897"
                              z3="0.776897"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.80753"
                              y3="-1.62093"
                              z3="0.642645"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.232953"
                              y3="-2.149997"
                              z3="2.221209"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.541849"
                              y3="1.4967"
                              z3="-1.732854"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.357977"
                              y3="1.847376"
                              z3="-0.457748"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.09554"
                              y3="1.64578"
                              z3="-0.07861"/>
                        <atom elementType="H"
                              id="a17"
                              x3="0.000757"
                              y3="-0.027471"
                              z3="-0.526504"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.993116"
                              y3="0.657501"
                              z3="-0.539106"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.695422"
                              y3="1.265197"
                              z3="0.991168"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.310646"
                              y3="1.006599"
                              z3="-0.482756"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.932339"
                              y3="2.146046"
                              z3="1.091986"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116089"
                              y3="0.128207"
                              z3="-0.537056"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.285666"
                              y3="-1.347878"
                              z3="-0.565661"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.144754"
                              y3="0.526259"
                              z3="-0.996881"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.079823"
                              y3="1.952236"
                              z3="-0.972614"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.851659"
                              y3="1.739634"
                              z3="1.496117"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.875626"
                              y3="0.313998"
                              z3="1.498025"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.793176"
                              y3="1.67723"
                              z3="0.613858"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.767917"
                              y3="3.11375"
                              z3="0.616863"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.18793"
                              y3="2.325875"
                              z3="2.135243"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.104824"
                              y3="-1.646131"
                              z3="0.08776"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.376061"
                              y3="-1.884244"
                              z3="-0.309285"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.5838"
                              y3="-1.619161"
                              z3="-1.583108"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9842,-.7059,-.5038;-3.7164,-1.183,1.027;-3.3035,-1.0404,-.4553;-4.9572,-2.0521,1.1722;-2.1048,-.1726,-.5555;-2.2656,1.298,-.6927;-3.0685,-2.022,-.8661;-4.1261,-.5987,-1.0202;-2.8835,-1.6177,1.5833;-3.9037,-.1951,1.4549;-4.7862,-3.0539,.7769;-5.8075,-1.6209,.6426;-5.233,-2.15,2.2212;-2.5418,1.4967,-1.7329;-1.358,1.8474,-.4577;-3.0955,1.6458,-.0786;.0008,-.0275,-.5265;.9931,.6575,-.5391;3.6954,1.2652,.9912;3.3106,1.0066,-.4828;4.9323,2.146,1.092;2.1161,.1282,-.5371;2.2857,-1.3479,-.5657;4.1448,.5263,-.9969;3.0798,1.9522,-.9726;2.8517,1.7396,1.4961;3.8756,.314,1.498;5.7932,1.6772,.6139;4.7679,3.1138,.6169;5.1879,2.3259,2.1352;3.1048,-1.6461,.0878;1.3761,-1.8842,-.3093;2.5838,-1.6192,-1.5831;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.983001"
                              y3="-0.707535"
                              z3="-0.480542"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.72712"
                              y3="-1.178279"
                              z3="1.030126"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.302173"
                              y3="-1.049235"
                              z3="-0.449562"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.968209"
                              y3="-2.047026"
                              z3="1.172837"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.104732"
                              y3="-0.17898"
                              z3="-0.549122"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.269597"
                              y3="1.288801"
                              z3="-0.705879"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.060303"
                              y3="-2.033909"
                              z3="-0.849051"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.121065"
                              y3="-0.616057"
                              z3="-1.02622"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.898839"
                              y3="-1.606873"
                              z3="1.597845"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.918902"
                              y3="-0.186492"
                              z3="1.446922"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.793263"
                              y3="-3.052184"
                              z3="0.787901"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.8144"
                              y3="-1.621397"
                              z3="0.632307"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.252687"
                              y3="-2.135794"
                              z3="2.2203"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.542459"
                              y3="1.473396"
                              z3="-1.749513"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.364194"
                              y3="1.843179"
                              z3="-0.473947"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.103169"
                              y3="1.641895"
                              z3="-0.099831"/>
                        <atom elementType="H"
                              id="a17"
                              x3="0.000503"
                              y3="-0.02753"
                              z3="-0.503339"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.991482"
                              y3="0.659421"
                              z3="-0.516104"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.706488"
                              y3="1.260103"
                              z3="0.994785"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.308822"
                              y3="1.015914"
                              z3="-0.477754"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.942169"
                              y3="2.142587"
                              z3="1.09308"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116141"
                              y3="0.134282"
                              z3="-0.531167"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.290994"
                              y3="-1.340222"
                              z3="-0.579322"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.139504"
                              y3="0.54432"
                              z3="-1.005263"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.069966"
                              y3="1.965753"
                              z3="-0.955761"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.866588"
                              y3="1.727277"
                              z3="1.512817"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.8935"
                              y3="0.304003"
                              z3="1.489885"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.799523"
                              y3="1.68049"
                              z3="0.602385"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.771438"
                              y3="3.114533"
                              z3="0.629061"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.206979"
                              y3="2.31267"
                              z3="2.135662"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.11421"
                              y3="-1.6437"
                              z3="0.066575"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.384057"
                              y3="-1.882284"
                              z3="-0.325336"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.585808"
                              y3="-1.597754"
                              z3="-1.601249"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.983,-.7075,-.4805;-3.7271,-1.1783,1.0301;-3.3022,-1.0492,-.4496;-4.9682,-2.047,1.1728;-2.1047,-.179,-.5491;-2.2696,1.2888,-.7059;-3.0603,-2.0339,-.8491;-4.1211,-.6161,-1.0262;-2.8988,-1.6069,1.5978;-3.9189,-.1865,1.4469;-4.7933,-3.0522,.7879;-5.8144,-1.6214,.6323;-5.2527,-2.1358,2.2203;-2.5425,1.4734,-1.7495;-1.3642,1.8432,-.4739;-3.1032,1.6419,-.0998;.0005,-.0275,-.5033;.9915,.6594,-.5161;3.7065,1.2601,.9948;3.3088,1.0159,-.4778;4.9422,2.1426,1.0931;2.1161,.1343,-.5312;2.291,-1.3402,-.5793;4.1395,.5443,-1.0053;3.07,1.9658,-.9558;2.8666,1.7273,1.5128;3.8935,.304,1.4899;5.7995,1.6805,.6024;4.7714,3.1145,.6291;5.207,2.3127,2.1357;3.1142,-1.6437,.0666;1.3841,-1.8823,-.3253;2.5858,-1.5978,-1.6012;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.983098"
                              y3="-0.707377"
                              z3="-0.473798"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.729262"
                              y3="-1.178813"
                              z3="1.030593"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.302461"
                              y3="-1.05006"
                              z3="-0.44857"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.97151"
                              y3="-2.046436"
                              z3="1.171604"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.104767"
                              y3="-0.179701"
                              z3="-0.547248"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.270678"
                              y3="1.287407"
                              z3="-0.708252"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.059828"
                              y3="-2.034926"
                              z3="-0.847268"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.12067"
                              y3="-0.617544"
                              z3="-1.026561"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.902353"
                              y3="-1.608359"
                              z3="1.599519"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.920806"
                              y3="-0.18679"
                              z3="1.44697"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.797142"
                              y3="-3.051571"
                              z3="0.786291"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.816605"
                              y3="-1.619522"
                              z3="0.630323"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.257088"
                              y3="-2.135324"
                              z3="2.218775"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.547715"
                              y3="1.469204"
                              z3="-1.751251"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.364419"
                              y3="1.842389"
                              z3="-0.48105"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.102176"
                              y3="1.642344"
                              z3="-0.100364"/>
                        <atom elementType="H"
                              id="a17"
                              x3="0.000185"
                              y3="-0.02792"
                              z3="-0.496578"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.991233"
                              y3="0.658832"
                              z3="-0.509377"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.709174"
                              y3="1.259947"
                              z3="0.995306"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.308658"
                              y3="1.016991"
                              z3="-0.476665"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.944799"
                              y3="2.142959"
                              z3="1.091773"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116117"
                              y3="0.134764"
                              z3="-0.52909"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.29277"
                              y3="-1.339322"
                              z3="-0.581125"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.138632"
                              y3="0.546967"
                              z3="-1.006553"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.068288"
                              y3="1.96738"
                              z3="-0.952928"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.870418"
                              y3="1.726386"
                              z3="1.515787"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.897861"
                              y3="0.303367"
                              z3="1.488847"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.80129"
                              y3="1.681383"
                              z3="0.59903"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.772717"
                              y3="3.115109"
                              z3="0.628638"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.211481"
                              y3="2.312411"
                              z3="2.133993"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.114111"
                              y3="-1.643921"
                              z3="0.066692"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.385342"
                              y3="-1.88261"
                              z3="-0.331428"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.591562"
                              y3="-1.594269"
                              z3="-1.602513"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9831,-.7074,-.4738;-3.7293,-1.1788,1.0306;-3.3025,-1.0501,-.4486;-4.9715,-2.0464,1.1716;-2.1048,-.1797,-.5472;-2.2707,1.2874,-.7083;-3.0598,-2.0349,-.8473;-4.1207,-.6175,-1.0266;-2.9024,-1.6084,1.5995;-3.9208,-.1868,1.447;-4.7971,-3.0516,.7863;-5.8166,-1.6195,.6303;-5.2571,-2.1353,2.2188;-2.5477,1.4692,-1.7513;-1.3644,1.8424,-.481;-3.1022,1.6423,-.1004;.0002,-.0279,-.4966;.9912,.6588,-.5094;3.7092,1.2599,.9953;3.3087,1.017,-.4767;4.9448,2.143,1.0918;2.1161,.1348,-.5291;2.2928,-1.3393,-.5811;4.1386,.547,-1.0066;3.0683,1.9674,-.9529;2.8704,1.7264,1.5158;3.8979,.3034,1.4888;5.8013,1.6814,.599;4.7727,3.1151,.6286;5.2115,2.3124,2.134;3.1141,-1.6439,.0667;1.3853,-1.8826,-.3314;2.5916,-1.5943,-1.6025;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.984253"
                              y3="-0.706232"
                              z3="-0.468467"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.729577"
                              y3="-1.181722"
                              z3="1.030187"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.303878"
                              y3="-1.047882"
                              z3="-0.448898"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.973468"
                              y3="-2.047821"
                              z3="1.168842"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105318"
                              y3="-0.178212"
                              z3="-0.545693"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.271046"
                              y3="1.288798"
                              z3="-0.708224"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.062326"
                              y3="-2.031717"
                              z3="-0.850905"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.122155"
                              y3="-0.612978"
                              z3="-1.024856"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.903179"
                              y3="-1.615104"
                              z3="1.596841"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.919311"
                              y3="-0.19095"
                              z3="1.450378"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.801319"
                              y3="-3.051463"
                              z3="0.778612"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.818362"
                              y3="-1.616676"
                              z3="0.630568"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.257711"
                              y3="-2.140854"
                              z3="2.216019"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.559178"
                              y3="1.469954"
                              z3="-1.748263"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.362022"
                              y3="1.843118"
                              z3="-0.490645"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.096099"
                              y3="1.6456"
                              z3="-0.092497"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.000525"
                              y3="-0.028602"
                              z3="-0.491173"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.991694"
                              y3="0.656975"
                              z3="-0.504002"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.710444"
                              y3="1.261686"
                              z3="0.994875"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.30924"
                              y3="1.015302"
                              z3="-0.476383"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.946229"
                              y3="2.145208"
                              z3="1.08857"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116364"
                              y3="0.133135"
                              z3="-0.526815"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.293884"
                              y3="-1.340926"
                              z3="-0.579456"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.139068"
                              y3="0.544603"
                              z3="-1.005781"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.068896"
                              y3="1.964943"
                              z3="-0.954225"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.872206"
                              y3="1.729398"
                              z3="1.514953"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.899851"
                              y3="0.306206"
                              z3="1.490261"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.802524"
                              y3="1.682167"
                              z3="0.596805"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.773795"
                              y3="3.116008"
                              z3="0.622684"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.213028"
                              y3="2.317479"
                              z3="2.130302"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.109013"
                              y3="-1.645854"
                              z3="0.076174"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.384276"
                              y3="-1.88458"
                              z3="-0.338598"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.603276"
                              y3="-1.595634"
                              z3="-1.597664"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9843,-.7062,-.4685;-3.7296,-1.1817,1.0302;-3.3039,-1.0479,-.4489;-4.9735,-2.0478,1.1688;-2.1053,-.1782,-.5457;-2.271,1.2888,-.7082;-3.0623,-2.0317,-.8509;-4.1222,-.613,-1.0249;-2.9032,-1.6151,1.5968;-3.9193,-.191,1.4504;-4.8013,-3.0515,.7786;-5.8184,-1.6167,.6306;-5.2577,-2.1409,2.216;-2.5592,1.47,-1.7483;-1.362,1.8431,-.4906;-3.0961,1.6456,-.0925;-.0005,-.0286,-.4912;.9917,.657,-.504;3.7104,1.2617,.9949;3.3092,1.0153,-.4764;4.9462,2.1452,1.0886;2.1164,.1331,-.5268;2.2939,-1.3409,-.5795;4.1391,.5446,-1.0058;3.0689,1.9649,-.9542;2.8722,1.7294,1.515;3.8999,.3062,1.4903;5.8025,1.6822,.5968;4.7738,3.116,.6227;5.213,2.3175,2.1303;3.109,-1.6459,.0762;1.3843,-1.8846,-.3386;2.6033,-1.5956,-1.5977;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.986185"
                              y3="-0.704731"
                              z3="-0.469981"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.725921"
                              y3="-1.186389"
                              z3="1.028665"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.306244"
                              y3="-1.042097"
                              z3="-0.45124"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.971283"
                              y3="-2.050831"
                              z3="1.166093"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.106144"
                              y3="-0.174348"
                              z3="-0.546349"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.269492"
                              y3="1.293485"
                              z3="-0.704423"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.068495"
                              y3="-2.023549"
                              z3="-0.861268"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.125963"
                              y3="-0.60129"
                              z3="-1.020509"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.898091"
                              y3="-1.626007"
                              z3="1.588313"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.911815"
                              y3="-0.19846"
                              z3="1.457181"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.803142"
                              y3="-3.051613"
                              z3="0.766842"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.817654"
                              y3="-1.613279"
                              z3="0.635359"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.25071"
                              y3="-2.151664"
                              z3="2.213844"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.572676"
                              y3="1.478295"
                              z3="-1.739434"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.356366"
                              y3="1.845205"
                              z3="-0.497916"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.0850"
                              y3="1.650699"
                              z3="-0.076072"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.001393"
                              y3="-0.029803"
                              z3="-0.492491"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.992846"
                              y3="0.653944"
                              z3="-0.505265"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.707656"
                              y3="1.265328"
                              z3="0.993259"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.310579"
                              y3="1.010048"
                              z3="-0.477675"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.943653"
                              y3="2.149015"
                              z3="1.085132"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116845"
                              y3="0.128888"
                              z3="-0.526397"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.293265"
                              y3="-1.34563"
                              z3="-0.57385"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.141581"
                              y3="0.535561"
                              z3="-1.001759"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.072768"
                              y3="1.957196"
                              z3="-0.961708"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.868206"
                              y3="1.736667"
                              z3="1.508024"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.895462"
                              y3="0.312861"
                              z3="1.49499"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.801236"
                              y3="1.682387"
                              z3="0.599029"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.77294"
                              y3="3.11683"
                              z3="0.612426"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.207161"
                              y3="2.3278"
                              z3="2.126599"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.099077"
                              y3="-1.649141"
                              z3="0.094075"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.380258"
                              y3="-1.888048"
                              z3="-0.343429"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.617097"
                              y3="-1.603955"
                              z3="-1.586538"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9862,-.7047,-.47;-3.7259,-1.1864,1.0287;-3.3062,-1.0421,-.4512;-4.9713,-2.0508,1.1661;-2.1061,-.1743,-.5463;-2.2695,1.2935,-.7044;-3.0685,-2.0235,-.8613;-4.126,-.6013,-1.0205;-2.8981,-1.626,1.5883;-3.9118,-.1985,1.4572;-4.8031,-3.0516,.7668;-5.8177,-1.6133,.6354;-5.2507,-2.1517,2.2138;-2.5727,1.4783,-1.7394;-1.3564,1.8452,-.4979;-3.085,1.6507,-.0761;-.0014,-.0298,-.4925;.9928,.6539,-.5053;3.7077,1.2653,.9933;3.3106,1.01,-.4777;4.9437,2.149,1.0851;2.1168,.1289,-.5264;2.2933,-1.3456,-.5738;4.1416,.5356,-1.0018;3.0728,1.9572,-.9617;2.8682,1.7367,1.508;3.8955,.3129,1.495;5.8012,1.6824,.599;4.7729,3.1168,.6124;5.2072,2.3278,2.1266;3.0991,-1.6491,.0941;1.3803,-1.888,-.3434;2.6171,-1.604,-1.5865;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.987901"
                              y3="-0.703765"
                              z3="-0.473374"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.72117"
                              y3="-1.190133"
                              z3="1.027254"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.308339"
                              y3="-1.036006"
                              z3="-0.453715"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.967115"
                              y3="-2.0537"
                              z3="1.164699"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.106728"
                              y3="-0.170445"
                              z3="-0.547811"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.266777"
                              y3="1.298254"
                              z3="-0.701148"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.074801"
                              y3="-2.015161"
                              z3="-0.871544"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.129783"
                              y3="-0.589375"
                              z3="-1.015851"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.891107"
                              y3="-1.634837"
                              z3="1.579516"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.903567"
                              y3="-0.205016"
                              z3="1.463663"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.802343"
                              y3="-3.05189"
                              z3="0.757646"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.815478"
                              y3="-1.611222"
                              z3="0.641314"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.241496"
                              y3="-2.161434"
                              z3="2.213092"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.583793"
                              y3="1.486924"
                              z3="-1.731212"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.349922"
                              y3="1.847281"
                              z3="-0.504585"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.073113"
                              y3="1.655483"
                              z3="-0.060785"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.002295"
                              y3="-0.031103"
                              z3="-0.495674"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.993853"
                              y3="0.651389"
                              z3="-0.508411"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.70337"
                              y3="1.268492"
                              z3="0.991722"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.311738"
                              y3="1.004568"
                              z3="-0.47921"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.939299"
                              y3="2.152306"
                              z3="1.083127"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.11715"
                              y3="0.124653"
                              z3="-0.526959"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.291564"
                              y3="-1.350342"
                              z3="-0.569139"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.144241"
                              y3="0.525973"
                              z3="-0.997113"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.076924"
                              y3="1.949138"
                              z3="-0.969659"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.861982"
                              y3="1.743146"
                              z3="1.500243"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.888952"
                              y3="0.319033"
                              z3="1.499921"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.798622"
                              y3="1.6826"
                              z3="0.603136"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.770646"
                              y3="3.117369"
                              z3="0.60411"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.198837"
                              y3="2.337111"
                              z3="2.124535"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.088491"
                              y3="-1.652244"
                              z3="0.110324"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.37553"
                              y3="-1.891439"
                              z3="-0.348101"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.628589"
                              y3="-1.612233"
                              z3="-1.576484"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9879,-.7038,-.4734;-3.7212,-1.1901,1.0273;-3.3083,-1.036,-.4537;-4.9671,-2.0537,1.1647;-2.1067,-.1704,-.5478;-2.2668,1.2983,-.7011;-3.0748,-2.0152,-.8715;-4.1298,-.5894,-1.0159;-2.8911,-1.6348,1.5795;-3.9036,-.205,1.4637;-4.8023,-3.0519,.7576;-5.8155,-1.6112,.6413;-5.2415,-2.1614,2.2131;-2.5838,1.4869,-1.7312;-1.3499,1.8473,-.5046;-3.0731,1.6555,-.0608;-.0023,-.0311,-.4957;.9939,.6514,-.5084;3.7034,1.2685,.9917;3.3117,1.0046,-.4792;4.9393,2.1523,1.0831;2.1172,.1247,-.527;2.2916,-1.3503,-.5691;4.1442,.526,-.9971;3.0769,1.9491,-.9697;2.862,1.7431,1.5002;3.889,.319,1.4999;5.7986,1.6826,.6031;4.7706,3.1174,.6041;5.1988,2.3371,2.1245;3.0885,-1.6522,.1103;1.3755,-1.8914,-.3481;2.6286,-1.6122,-1.5765;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.988527"
                              y3="-0.703884"
                              z3="-0.476357"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.717633"
                              y3="-1.191249"
                              z3="1.026839"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.309177"
                              y3="-1.032745"
                              z3="-0.454964"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.963406"
                              y3="-2.054653"
                              z3="1.165474"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.106706"
                              y3="-0.16863"
                              z3="-0.549426"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.264466"
                              y3="1.300446"
                              z3="-0.700473"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.078158"
                              y3="-2.010883"
                              z3="-0.876545"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.131802"
                              y3="-0.583309"
                              z3="-1.013092"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.885858"
                              y3="-1.637865"
                              z3="1.574994"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.898177"
                              y3="-0.207395"
                              z3="1.466857"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.800147"
                              y3="-3.051891"
                              z3="0.755516"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.813129"
                              y3="-1.610644"
                              z3="0.645628"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.234995"
                              y3="-2.164967"
                              z3="2.214328"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.588501"
                              y3="1.490978"
                              z3="-1.727946"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.345688"
                              y3="1.84793"
                              z3="-0.508904"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.06597"
                              y3="1.657637"
                              z3="-0.053886"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.002888"
                              y3="-0.032078"
                              z3="-0.49849"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.994173"
                              y3="0.650347"
                              z3="-0.5112"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.699717"
                              y3="1.269765"
                              z3="0.991233"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.312177"
                              y3="1.001628"
                              z3="-0.480057"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.935462"
                              y3="2.153521"
                              z3="1.083713"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.117087"
                              y3="0.122507"
                              z3="-0.528228"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.290056"
                              y3="-1.352662"
                              z3="-0.568311"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.145819"
                              y3="0.520841"
                              z3="-0.994075"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.079233"
                              y3="1.944856"
                              z3="-0.973949"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.856747"
                              y3="1.745933"
                              z3="1.495742"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.883498"
                              y3="0.321769"
                              z3="1.50282"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.796056"
                              y3="1.682582"
                              z3="0.607236"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.768299"
                              y3="3.117451"
                              z3="0.601917"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.192327"
                              y3="2.340896"
                              z3="2.125325"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.082405"
                              y3="-1.653898"
                              z3="0.116918"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.372539"
                              y3="-1.893107"
                              z3="-0.352094"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.633692"
                              y3="-1.615852"
                              z3="-1.573018"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9885,-.7039,-.4764;-3.7176,-1.1912,1.0268;-3.3092,-1.0327,-.455;-4.9634,-2.0547,1.1655;-2.1067,-.1686,-.5494;-2.2645,1.3004,-.7005;-3.0782,-2.0109,-.8765;-4.1318,-.5833,-1.0131;-2.8859,-1.6379,1.575;-3.8982,-.2074,1.4669;-4.8001,-3.0519,.7555;-5.8131,-1.6106,.6456;-5.235,-2.165,2.2143;-2.5885,1.491,-1.7279;-1.3457,1.8479,-.5089;-3.066,1.6576,-.0539;-.0029,-.0321,-.4985;.9942,.6503,-.5112;3.6997,1.2698,.9912;3.3122,1.0016,-.4801;4.9355,2.1535,1.0837;2.1171,.1225,-.5282;2.2901,-1.3527,-.5683;4.1458,.5208,-.9941;3.0792,1.9449,-.9739;2.8567,1.7459,1.4957;3.8835,.3218,1.5028;5.7961,1.6826,.6072;4.7683,3.1175,.6019;5.1923,2.3409,2.1253;3.0824,-1.6539,.1169;1.3725,-1.8931,-.3521;2.6337,-1.6159,-1.573;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.988632"
                              y3="-0.704257"
                              z3="-0.479312"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.715233"
                              y3="-1.19166"
                              z3="1.026809"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.309452"
                              y3="-1.03098"
                              z3="-0.455519"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.960919"
                              y3="-2.054842"
                              z3="1.166416"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.106451"
                              y3="-0.16776"
                              z3="-0.550569"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.262987"
                              y3="1.301511"
                              z3="-0.699957"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.079883"
                              y3="-2.008586"
                              z3="-0.87915"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.132818"
                              y3="-0.580109"
                              z3="-1.011372"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.882466"
                              y3="-1.639278"
                              z3="1.572658"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.894541"
                              y3="-0.208391"
                              z3="1.468649"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.798582"
                              y3="-3.051731"
                              z3="0.755269"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.811376"
                              y3="-1.610196"
                              z3="0.648326"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.231025"
                              y3="-2.166197"
                              z3="2.215544"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.589794"
                              y3="1.493257"
                              z3="-1.726302"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.343301"
                              y3="1.848026"
                              z3="-0.51011"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.062458"
                              y3="1.658491"
                              z3="-0.050688"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.003221"
                              y3="-0.032807"
                              z3="-0.50136"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.994295"
                              y3="0.649828"
                              z3="-0.514089"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.69692"
                              y3="1.270548"
                              z3="0.991044"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.312424"
                              y3="0.999973"
                              z3="-0.48059"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.932714"
                              y3="2.153929"
                              z3="1.084699"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116982"
                              y3="0.121335"
                              z3="-0.529494"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.289236"
                              y3="-1.353879"
                              z3="-0.568262"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.14693"
                              y3="0.517944"
                              z3="-0.992005"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.080704"
                              y3="1.942364"
                              z3="-0.976666"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.852916"
                              y3="1.747781"
                              z3="1.492828"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.879101"
                              y3="0.32334"
                              z3="1.504681"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.794093"
                              y3="1.682157"
                              z3="0.610482"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.766882"
                              y3="3.117322"
                              z3="0.601378"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.187758"
                              y3="2.34262"
                              z3="2.126527"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.079824"
                              y3="-1.654692"
                              z3="0.119229"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.371089"
                              y3="-1.893873"
                              z3="-0.353663"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.635329"
                              y3="-1.617816"
                              z3="-1.571906"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9886,-.7043,-.4793;-3.7152,-1.1917,1.0268;-3.3095,-1.031,-.4555;-4.9609,-2.0548,1.1664;-2.1065,-.1678,-.5506;-2.263,1.3015,-.7;-3.0799,-2.0086,-.8791;-4.1328,-.5801,-1.0114;-2.8825,-1.6393,1.5727;-3.8945,-.2084,1.4686;-4.7986,-3.0517,.7553;-5.8114,-1.6102,.6483;-5.231,-2.1662,2.2155;-2.5898,1.4933,-1.7263;-1.3433,1.848,-.5101;-3.0625,1.6585,-.0507;-.0032,-.0328,-.5014;.9943,.6498,-.5141;3.6969,1.2705,.991;3.3124,1,-.4806;4.9327,2.1539,1.0847;2.117,.1213,-.5295;2.2892,-1.3539,-.5683;4.1469,.5179,-.992;3.0807,1.9424,-.9767;2.8529,1.7478,1.4928;3.8791,.3233,1.5047;5.7941,1.6822,.6105;4.7669,3.1173,.6014;5.1878,2.3426,2.1265;3.0798,-1.6547,.1192;1.3711,-1.8939,-.3537;2.6353,-1.6178,-1.5719;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.988377"
                              y3="-0.705185"
                              z3="-0.479644"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.71441"
                              y3="-1.19094"
                              z3="1.027393"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.309269"
                              y3="-1.030998"
                              z3="-0.455203"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.960072"
                              y3="-2.053898"
                              z3="1.167943"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.106024"
                              y3="-0.168229"
                              z3="-0.551091"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.262101"
                              y3="1.300933"
                              z3="-0.701411"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.080074"
                              y3="-2.00883"
                              z3="-0.878551"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.132794"
                              y3="-0.580255"
                              z3="-1.010905"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.881412"
                              y3="-1.63832"
                              z3="1.57309"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.893336"
                              y3="-0.207391"
                              z3="1.468783"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.797875"
                              y3="-3.051216"
                              z3="0.757778"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.810605"
                              y3="-1.609778"
                              z3="0.64952"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.230125"
                              y3="-2.164287"
                              z3="2.217191"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.589275"
                              y3="1.49201"
                              z3="-1.727758"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.342211"
                              y3="1.847296"
                              z3="-0.512132"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.061288"
                              y3="1.658432"
                              z3="-0.052065"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.003572"
                              y3="-0.033677"
                              z3="-0.501598"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.994084"
                              y3="0.649677"
                              z3="-0.514342"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.695567"
                              y3="1.270298"
                              z3="0.991563"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.312187"
                              y3="1.000076"
                              z3="-0.48041"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.931243"
                              y3="2.153596"
                              z3="1.08639"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116816"
                              y3="0.121303"
                              z3="-0.530273"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.289403"
                              y3="-1.353793"
                              z3="-0.570623"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.147122"
                              y3="0.518388"
                              z3="-0.99142"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.08049"
                              y3="1.942519"
                              z3="-0.976424"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.851126"
                              y3="1.747309"
                              z3="1.492829"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.87726"
                              y3="0.322907"
                              z3="1.505063"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.792902"
                              y3="1.682185"
                              z3="0.612312"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.765704"
                              y3="3.117302"
                              z3="0.60359"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.185826"
                              y3="2.341709"
                              z3="2.128441"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.08007"
                              y3="-1.655053"
                              z3="0.116591"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.371415"
                              y3="-1.894257"
                              z3="-0.356561"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.635665"
                              y3="-1.616457"
                              z3="-1.574539"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9884,-.7052,-.4796;-3.7144,-1.1909,1.0274;-3.3093,-1.031,-.4552;-4.9601,-2.0539,1.1679;-2.106,-.1682,-.5511;-2.2621,1.3009,-.7014;-3.0801,-2.0088,-.8786;-4.1328,-.5803,-1.0109;-2.8814,-1.6383,1.5731;-3.8933,-.2074,1.4688;-4.7979,-3.0512,.7578;-5.8106,-1.6098,.6495;-5.2301,-2.1643,2.2172;-2.5893,1.492,-1.7278;-1.3422,1.8473,-.5121;-3.0613,1.6584,-.0521;-.0036,-.0337,-.5016;.9941,.6497,-.5143;3.6956,1.2703,.9916;3.3122,1.0001,-.4804;4.9312,2.1536,1.0864;2.1168,.1213,-.5303;2.2894,-1.3538,-.5706;4.1471,.5184,-.9914;3.0805,1.9425,-.9764;2.8511,1.7473,1.4928;3.8773,.3229,1.5051;5.7929,1.6822,.6123;4.7657,3.1173,.6036;5.1858,2.3417,2.1284;3.0801,-1.6551,.1166;1.3714,-1.8943,-.3566;2.6357,-1.6165,-1.5745;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.988282"
                              y3="-0.706056"
                              z3="-0.480856"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.713433"
                              y3="-1.190825"
                              z3="1.027815"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.309335"
                              y3="-1.030558"
                              z3="-0.455028"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.959398"
                              y3="-2.053206"
                              z3="1.168978"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105676"
                              y3="-0.168394"
                              z3="-0.551553"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.261134"
                              y3="1.300801"
                              z3="-0.701753"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.080863"
                              y3="-2.008335"
                              z3="-0.878939"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.133064"
                              y3="-0.579315"
                              z3="-1.010005"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.880269"
                              y3="-1.638778"
                              z3="1.572786"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.891495"
                              y3="-0.207294"
                              z3="1.469607"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.797869"
                              y3="-3.050631"
                              z3="0.758795"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.810001"
                              y3="-1.608774"
                              z3="0.650926"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.229041"
                              y3="-2.163486"
                              z3="2.218345"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.588812"
                              y3="1.491946"
                              z3="-1.727929"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.340849"
                              y3="1.846668"
                              z3="-0.512952"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.059841"
                              y3="1.658656"
                              z3="-0.052018"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.004094"
                              y3="-0.034871"
                              z3="-0.502716"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.994043"
                              y3="0.649052"
                              z3="-0.515505"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.693937"
                              y3="1.270633"
                              z3="0.991798"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.312157"
                              y3="0.999741"
                              z3="-0.480434"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.929679"
                              y3="2.153699"
                              z3="1.087597"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.1168"
                              y3="0.120839"
                              z3="-0.531143"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.28985"
                              y3="-1.354185"
                              z3="-0.57202"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.147677"
                              y3="0.518037"
                              z3="-0.990446"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.08076"
                              y3="1.941916"
                              z3="-0.977137"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.849022"
                              y3="1.747992"
                              z3="1.491929"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.874797"
                              y3="0.323396"
                              z3="1.505908"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.791697"
                              y3="1.68206"
                              z3="0.614389"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.764815"
                              y3="3.117344"
                              z3="0.604431"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.183401"
                              y3="2.342048"
                              z3="2.129822"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.080478"
                              y3="-1.655519"
                              z3="0.115201"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.371947"
                              y3="-1.89497"
                              z3="-0.358388"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.636454"
                              y3="-1.616258"
                              z3="-1.575976"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9883,-.7061,-.4809;-3.7134,-1.1908,1.0278;-3.3093,-1.0306,-.455;-4.9594,-2.0532,1.169;-2.1057,-.1684,-.5516;-2.2611,1.3008,-.7018;-3.0809,-2.0083,-.8789;-4.1331,-.5793,-1.01;-2.8803,-1.6388,1.5728;-3.8915,-.2073,1.4696;-4.7979,-3.0506,.7588;-5.81,-1.6088,.6509;-5.229,-2.1635,2.2183;-2.5888,1.4919,-1.7279;-1.3408,1.8467,-.513;-3.0598,1.6587,-.052;-.0041,-.0349,-.5027;.994,.6491,-.5155;3.6939,1.2706,.9918;3.3122,.9997,-.4804;4.9297,2.1537,1.0876;2.1168,.1208,-.5311;2.2898,-1.3542,-.572;4.1477,.518,-.9904;3.0808,1.9419,-.9771;2.849,1.748,1.4919;3.8748,.3234,1.5059;5.7917,1.6821,.6144;4.7648,3.1173,.6044;5.1834,2.342,2.1298;3.0805,-1.6555,.1152;1.3719,-1.895,-.3584;2.6365,-1.6163,-1.576;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.988049"
                              y3="-0.708374"
                              z3="-0.481272"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.712646"
                              y3="-1.189962"
                              z3="1.028948"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.309378"
                              y3="-1.030586"
                              z3="-0.454209"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.959383"
                              y3="-2.051057"
                              z3="1.171128"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.104973"
                              y3="-0.169557"
                              z3="-0.551912"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.259238"
                              y3="1.299579"
                              z3="-0.703318"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.081936"
                              y3="-2.008677"
                              z3="-0.87801"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.13305"
                              y3="-0.578919"
                              z3="-1.00889"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.879662"
                              y3="-1.638565"
                              z3="1.573639"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.889414"
                              y3="-0.206041"
                              z3="1.470411"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.798871"
                              y3="-3.048998"
                              z3="0.761786"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.809709"
                              y3="-1.606351"
                              z3="0.652848"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.228916"
                              y3="-2.160262"
                              z3="2.220639"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.586873"
                              y3="1.489889"
                              z3="-1.729682"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.338419"
                              y3="1.844769"
                              z3="-0.515162"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.057691"
                              y3="1.658741"
                              z3="-0.05401"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.005425"
                              y3="-0.037976"
                              z3="-0.502893"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.993875"
                              y3="0.647441"
                              z3="-0.515767"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.691732"
                              y3="1.270709"
                              z3="0.992589"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.311843"
                              y3="0.999996"
                              z3="-0.480102"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.927167"
                              y3="2.154014"
                              z3="1.090186"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.116941"
                              y3="0.120256"
                              z3="-0.532441"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.29168"
                              y3="-1.35454"
                              z3="-0.576271"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.148287"
                              y3="0.519297"
                              z3="-0.989499"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.08019"
                              y3="1.942136"
                              z3="-0.976824"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.846108"
                              y3="1.747697"
                              z3="1.491852"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.872088"
                              y3="0.323314"
                              z3="1.506637"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.789794"
                              y3="1.682897"
                              z3="0.617546"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.76259"
                              y3="3.117883"
                              z3="0.607341"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.179859"
                              y3="2.341965"
                              z3="2.132735"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.083095"
                              y3="-1.656519"
                              z3="0.10975"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.374435"
                              y3="-1.896713"
                              z3="-0.363261"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.638005"
                              y3="-1.614115"
                              z3="-1.580986"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.988,-.7084,-.4813;-3.7126,-1.19,1.0289;-3.3094,-1.0306,-.4542;-4.9594,-2.0511,1.1711;-2.105,-.1696,-.5519;-2.2592,1.2996,-.7033;-3.0819,-2.0087,-.878;-4.133,-.5789,-1.0089;-2.8797,-1.6386,1.5736;-3.8894,-.206,1.4704;-4.7989,-3.049,.7618;-5.8097,-1.6064,.6528;-5.2289,-2.1603,2.2206;-2.5869,1.4899,-1.7297;-1.3384,1.8448,-.5152;-3.0577,1.6587,-.054;-.0054,-.038,-.5029;.9939,.6474,-.5158;3.6917,1.2707,.9926;3.3118,1,-.4801;4.9272,2.154,1.0902;2.1169,.1203,-.5324;2.2917,-1.3545,-.5763;4.1483,.5193,-.9895;3.0802,1.9421,-.9768;2.8461,1.7477,1.4919;3.8721,.3233,1.5066;5.7898,1.6829,.6175;4.7626,3.1179,.6073;5.1799,2.342,2.1327;3.0831,-1.6565,.1098;1.3744,-1.8967,-.3633;2.638,-1.6141,-1.581;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.988333"
                              y3="-0.711352"
                              z3="-0.48342"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.710642"
                              y3="-1.19015"
                              z3="1.029831"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.310151"
                              y3="-1.028924"
                              z3="-0.453879"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.958863"
                              y3="-2.04898"
                              z3="1.172949"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.104305"
                              y3="-0.170063"
                              z3="-0.552576"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.255914"
                              y3="1.299337"
                              z3="-0.703154"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.08533"
                              y3="-2.006676"
                              z3="-0.87991"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.134048"
                              y3="-0.574803"
                              z3="-1.006174"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.877557"
                              y3="-1.641472"
                              z3="1.57209"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.884493"
                              y3="-0.206615"
                              z3="1.473316"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.800962"
                              y3="-3.046689"
                              z3="0.762004"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.809198"
                              y3="-1.601957"
                              z3="0.656672"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.226823"
                              y3="-2.159126"
                              z3="2.222763"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.585698"
                              y3="1.490435"
                              z3="-1.728698"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.333554"
                              y3="1.842626"
                              z3="-0.517066"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.0523"
                              y3="1.659874"
                              z3="-0.052059"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.007812"
                              y3="-0.043082"
                              z3="-0.504641"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.994022"
                              y3="0.644005"
                              z3="-0.51762"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.687826"
                              y3="1.271994"
                              z3="0.992887"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.311794"
                              y3="0.998853"
                              z3="-0.480232"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.922825"
                              y3="2.155719"
                              z3="1.092404"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.117433"
                              y3="0.1181"
                              z3="-0.534229"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.294211"
                              y3="-1.356509"
                              z3="-0.579634"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.149866"
                              y3="0.518415"
                              z3="-0.987142"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.08048"
                              y3="1.9401"
                              z3="-0.978878"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.840837"
                              y3="1.749513"
                              z3="1.489301"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.86702"
                              y3="0.325368"
                              z3="1.508801"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.786711"
                              y3="1.684246"
                              z3="0.622405"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.759178"
                              y3="3.118903"
                              z3="0.607849"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.172997"
                              y3="2.34519"
                              z3="2.135286"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.084903"
                              y3="-1.658448"
                              z3="0.107239"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.377282"
                              y3="-1.900129"
                              z3="-0.368892"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.642658"
                              y3="-1.61433"
                              z3="-1.584066"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9883,-.7114,-.4834;-3.7106,-1.1902,1.0298;-3.3102,-1.0289,-.4539;-4.9589,-2.049,1.1729;-2.1043,-.1701,-.5526;-2.2559,1.2993,-.7032;-3.0853,-2.0067,-.8799;-4.134,-.5748,-1.0062;-2.8776,-1.6415,1.5721;-3.8845,-.2066,1.4733;-4.801,-3.0467,.762;-5.8092,-1.602,.6567;-5.2268,-2.1591,2.2228;-2.5857,1.4904,-1.7287;-1.3336,1.8426,-.5171;-3.0523,1.6599,-.0521;-.0078,-.0431,-.5046;.994,.644,-.5176;3.6878,1.272,.9929;3.3118,.9989,-.4802;4.9228,2.1557,1.0924;2.1174,.1181,-.5342;2.2942,-1.3565,-.5796;4.1499,.5184,-.9871;3.0805,1.9401,-.9789;2.8408,1.7495,1.4893;3.867,.3254,1.5088;5.7867,1.6842,.6224;4.7592,3.1189,.6078;5.173,2.3452,2.1353;3.0849,-1.6584,.1072;1.3773,-1.9001,-.3689;2.6427,-1.6143,-1.5841;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.990821"
                              y3="-0.7379"
                              z3="-0.496644"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.69772"
                              y3="-1.190018"
                              z3="1.037099"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.316129"
                              y3="-1.017629"
                              z3="-0.450416"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.95812"
                              y3="-2.030019"
                              z3="1.18731"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.098853"
                              y3="-0.176631"
                              z3="-0.556338"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.22796"
                              y3="1.294445"
                              z3="-0.70259"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.111836"
                              y3="-1.993554"
                              z3="-0.891112"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.140162"
                              y3="-0.544845"
                              z3="-0.986254"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.865379"
                              y3="-1.661853"
                              z3="1.562551"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.848964"
                              y3="-0.208793"
                              z3="1.493824"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.820704"
                              y3="-3.026401"
                              z3="0.765797"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.80721"
                              y3="-1.565138"
                              z3="0.684901"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.215247"
                              y3="-2.145676"
                              z3="2.239215"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.570509"
                              y3="1.490821"
                              z3="-1.723098"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.294072"
                              y3="1.822372"
                              z3="-0.530351"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.010034"
                              y3="1.666938"
                              z3="-0.040906"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.029113"
                              y3="-0.087511"
                              z3="-0.514543"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.994564"
                              y3="0.614989"
                              z3="-0.52845"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.658732"
                              y3="1.280737"
                              z3="0.995361"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.310152"
                              y3="0.992585"
                              z3="-0.480759"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.888964"
                              y3="2.169537"
                              z3="1.109938"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.121677"
                              y3="0.101807"
                              z3="-0.547672"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.317352"
                              y3="-1.370777"
                              z3="-0.608892"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.160564"
                              y3="0.517275"
                              z3="-0.971354"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.079031"
                              y3="1.927962"
                              z3="-0.990961"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.801544"
                              y3="1.759453"
                              z3="1.472618"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.831452"
                              y3="0.33894"
                              z3="1.522574"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.762356"
                              y3="1.697965"
                              z3="0.657815"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.730211"
                              y3="3.128362"
                              z3="0.614979"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.12099"
                              y3="2.368368"
                              z3="2.155285"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.104991"
                              y3="-1.672502"
                              z3="0.081582"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.404846"
                              y3="-1.927928"
                              z3="-0.414398"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.679464"
                              y3="-1.612006"
                              z3="-1.612587"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9908,-.7379,-.4966;-3.6977,-1.19,1.0371;-3.3161,-1.0176,-.4504;-4.9581,-2.03,1.1873;-2.0989,-.1766,-.5563;-2.228,1.2944,-.7026;-3.1118,-1.9936,-.8911;-4.1402,-.5448,-.9863;-2.8654,-1.6619,1.5626;-3.849,-.2088,1.4938;-4.8207,-3.0264,.7658;-5.8072,-1.5651,.6849;-5.2152,-2.1457,2.2392;-2.5705,1.4908,-1.7231;-1.2941,1.8224,-.5304;-3.01,1.6669,-.0409;-.0291,-.0875,-.5145;.9946,.615,-.5284;3.6587,1.2807,.9954;3.3102,.9926,-.4808;4.889,2.1695,1.1099;2.1217,.1018,-.5477;2.3174,-1.3708,-.6089;4.1606,.5173,-.9714;3.079,1.928,-.991;2.8015,1.7595,1.4726;3.8315,.3389,1.5226;5.7624,1.698,.6578;4.7302,3.1284,.615;5.121,2.3684,2.1553;3.105,-1.6725,.0816;1.4048,-1.9279,-.4144;2.6795,-1.612,-1.6126;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.991095"
                              y3="-0.731589"
                              z3="-0.493694"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.70225"
                              y3="-1.190894"
                              z3="1.034595"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.315635"
                              y3="-1.020148"
                              z3="-0.451828"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.960039"
                              y3="-2.035247"
                              z3="1.182026"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.101076"
                              y3="-0.174858"
                              z3="-0.5549"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.235211"
                              y3="1.296063"
                              z3="-0.700086"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.106453"
                              y3="-1.99627"
                              z3="-0.889656"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.139424"
                              y3="-0.551166"
                              z3="-0.991484"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.869932"
                              y3="-1.658495"
                              z3="1.563931"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.858881"
                              y3="-0.209444"
                              z3="1.488993"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.81801"
                              y3="-3.031458"
                              z3="0.761681"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.809327"
                              y3="-1.573636"
                              z3="0.676964"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.219673"
                              y3="-2.150771"
                              z3="2.233333"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.573759"
                              y3="1.492722"
                              z3="-1.721848"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.304105"
                              y3="1.827298"
                              z3="-0.523085"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.021197"
                              y3="1.66493"
                              z3="-0.041029"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.024562"
                              y3="-0.077612"
                              z3="-0.512424"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.995133"
                              y3="0.621207"
                              z3="-0.52613"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.667442"
                              y3="1.279181"
                              z3="0.993997"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.311222"
                              y3="0.994032"
                              z3="-0.481089"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.898517"
                              y3="2.167385"
                              z3="1.103734"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.121535"
                              y3="0.105366"
                              z3="-0.543841"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.312771"
                              y3="-1.367831"
                              z3="-0.599249"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.158434"
                              y3="0.517325"
                              z3="-0.975973"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.079647"
                              y3="1.930622"
                              z3="-0.988694"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.812845"
                              y3="1.75745"
                              z3="1.47635"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.842662"
                              y3="0.336548"
                              z3="1.518753"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.769615"
                              y3="1.69583"
                              z3="0.647241"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.737874"
                              y3="3.126829"
                              z3="0.610671"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.135254"
                              y3="2.364716"
                              z3="2.148295"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.100961"
                              y3="-1.668685"
                              z3="0.090967"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.399107"
                              y3="-1.921447"
                              z3="-0.400225"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.671668"
                              y3="-1.614578"
                              z3="-1.602766"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9911,-.7316,-.4937;-3.7022,-1.1909,1.0346;-3.3156,-1.0201,-.4518;-4.96,-2.0352,1.182;-2.1011,-.1749,-.5549;-2.2352,1.2961,-.7001;-3.1065,-1.9963,-.8897;-4.1394,-.5512,-.9915;-2.8699,-1.6585,1.5639;-3.8589,-.2094,1.489;-4.818,-3.0315,.7617;-5.8093,-1.5736,.677;-5.2197,-2.1508,2.2333;-2.5738,1.4927,-1.7218;-1.3041,1.8273,-.5231;-3.0212,1.6649,-.041;-.0246,-.0776,-.5124;.9951,.6212,-.5261;3.6674,1.2792,.994;3.3112,.994,-.4811;4.8985,2.1674,1.1037;2.1215,.1054,-.5438;2.3128,-1.3678,-.5992;4.1584,.5173,-.976;3.0796,1.9306,-.9887;2.8128,1.7574,1.4764;3.8427,.3365,1.5188;5.7696,1.6958,.6472;4.7379,3.1268,.6107;5.1353,2.3647,2.1483;3.101,-1.6687,.091;1.3991,-1.9214,-.4002;2.6717,-1.6146,-1.6028;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-0.995061"
                              y3="-0.741809"
                              z3="-0.499426"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.702704"
                              y3="-1.19361"
                              z3="1.033993"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.320692"
                              y3="-1.015031"
                              z3="-0.452962"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.965644"
                              y3="-2.030665"
                              z3="1.18013"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.101975"
                              y3="-0.176533"
                              z3="-0.554251"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.225841"
                              y3="1.295739"
                              z3="-0.689602"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.119264"
                              y3="-1.989441"
                              z3="-0.898145"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.143342"
                              y3="-0.536792"
                              z3="-0.986169"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.871562"
                              y3="-1.670667"
                              z3="1.556702"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.85118"
                              y3="-0.214439"
                              z3="1.495941"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.831942"
                              y3="-3.024474"
                              z3="0.75148"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.813884"
                              y3="-1.559333"
                              z3="0.682367"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.221344"
                              y3="-2.152342"
                              z3="2.231696"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.565165"
                              y3="1.500781"
                              z3="-1.709551"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.290783"
                              y3="1.819578"
                              z3="-0.511747"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-3.008266"
                              y3="1.665691"
                              z3="-0.026904"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.034857"
                              y3="-0.097093"
                              z3="-0.517109"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.997367"
                              y3="0.607723"
                              z3="-0.531227"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.663026"
                              y3="1.283692"
                              z3="0.991595"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.312319"
                              y3="0.991661"
                              z3="-0.483195"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.890596"
                              y3="2.17673"
                              z3="1.102191"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.125812"
                              y3="0.098089"
                              z3="-0.546424"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.324283"
                              y3="-1.374666"
                              z3="-0.599337"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.162843"
                              y3="0.516531"
                              z3="-0.973956"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.078982"
                              y3="1.925517"
                              z3="-0.995051"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.805243"
                              y3="1.760797"
                              z3="1.469403"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.840046"
                              y3="0.34383"
                              z3="1.520692"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.765034"
                              y3="1.706141"
                              z3="0.651133"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.728392"
                              y3="3.133309"
                              z3="0.604104"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.122552"
                              y3="2.37948"
                              z3="2.146769"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.110452"
                              y3="-1.671529"
                              z3="0.094922"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.412087"
                              y3="-1.931977"
                              z3="-0.40365"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.688531"
                              y3="-1.621513"
                              z3="-1.600881"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-.9951,-.7418,-.4994;-3.7027,-1.1936,1.034;-3.3207,-1.015,-.453;-4.9656,-2.0307,1.1801;-2.102,-.1765,-.5543;-2.2258,1.2957,-.6896;-3.1193,-1.9894,-.8981;-4.1433,-.5368,-.9862;-2.8716,-1.6707,1.5567;-3.8512,-.2144,1.4959;-4.8319,-3.0245,.7515;-5.8139,-1.5593,.6824;-5.2213,-2.1523,2.2317;-2.5652,1.5008,-1.7096;-1.2908,1.8196,-.5117;-3.0083,1.6657,-.0269;-.0349,-.0971,-.5171;.9974,.6077,-.5312;3.663,1.2837,.9916;3.3123,.9917,-.4832;4.8906,2.1767,1.1022;2.1258,.0981,-.5464;2.3243,-1.3747,-.5993;4.1628,.5165,-.974;3.079,1.9255,-.9951;2.8052,1.7608,1.4694;3.84,.3438,1.5207;5.765,1.7061,.6511;4.7284,3.1333,.6041;5.1226,2.3795,2.1468;3.1105,-1.6715,.0949;1.4121,-1.932,-.4037;2.6885,-1.6215,-1.6009;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.00556"
                              y3="-0.771639"
                              z3="-0.500272"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.715689"
                              y3="-1.196555"
                              z3="1.031077"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.332865"
                              y3="-1.007546"
                              z3="-0.455483"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-4.990662"
                              y3="-2.016946"
                              z3="1.169179"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.104814"
                              y3="-0.185447"
                              z3="-0.546607"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.200955"
                              y3="1.289267"
                              z3="-0.661146"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.146558"
                              y3="-1.98021"
                              z3="-0.910518"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.148573"
                              y3="-0.509939"
                              z3="-0.981617"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.890599"
                              y3="-1.691673"
                              z3="1.546528"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.849809"
                              y3="-0.220874"
                              z3="1.504428"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.872645"
                              y3="-3.00646"
                              z3="0.726425"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.833205"
                              y3="-1.52576"
                              z3="0.681173"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.244124"
                              y3="-2.148404"
                              z3="2.220068"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.53069"
                              y3="1.513612"
                              z3="-1.680438"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.258207"
                              y3="1.79487"
                              z3="-0.472342"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.981154"
                              y3="1.662707"
                              z3="0.002232"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.065003"
                              y3="-0.151713"
                              z3="-0.515732"/>
                        <atom elementType="O"
                              id="a18"
                              x3="1.001254"
                              y3="0.571717"
                              z3="-0.531216"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.664052"
                              y3="1.290268"
                              z3="0.984625"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.311594"
                              y3="0.993384"
                              z3="-0.488324"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.878605"
                              y3="2.201624"
                              z3="1.091979"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.136844"
                              y3="0.082948"
                              z3="-0.547812"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.357905"
                              y3="-1.38807"
                              z3="-0.598157"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.166847"
                              y3="0.529463"
                              z3="-0.982018"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.064691"
                              y3="1.924101"
                              z3="-0.999294"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.800848"
                              y3="1.754648"
                              z3="1.46532"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.85741"
                              y3="0.353707"
                              z3="1.513757"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.759084"
                              y3="1.742832"
                              z3="0.640576"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.701395"
                              y3="3.154695"
                              z3="0.592339"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.108894"
                              y3="2.40903"
                              z3="2.136005"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.144664"
                              y3="-1.673145"
                              z3="0.10048"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.452986"
                              y3="-1.957782"
                              z3="-0.403937"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.728101"
                              y3="-1.633335"
                              z3="-1.597754"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0056,-.7716,-.5003;-3.7157,-1.1966,1.0311;-3.3329,-1.0075,-.4555;-4.9907,-2.0169,1.1692;-2.1048,-.1854,-.5466;-2.201,1.2893,-.6611;-3.1466,-1.9802,-.9105;-4.1486,-.5099,-.9816;-2.8906,-1.6917,1.5465;-3.8498,-.2209,1.5044;-4.8726,-3.0065,.7264;-5.8332,-1.5258,.6812;-5.2441,-2.1484,2.2201;-2.5307,1.5136,-1.6804;-1.2582,1.7949,-.4723;-2.9812,1.6627,.0022;-.065,-.1517,-.5157;1.0013,.5717,-.5312;3.6641,1.2903,.9846;3.3116,.9934,-.4883;4.8786,2.2016,1.092;2.1368,.0829,-.5478;2.3579,-1.3881,-.5982;4.1668,.5295,-.982;3.0647,1.9241,-.9993;2.8008,1.7546,1.4653;3.8574,.3537,1.5138;5.7591,1.7428,.6406;4.7014,3.1547,.5923;5.1089,2.409,2.136;3.1447,-1.6731,.1005;1.453,-1.9578,-.4039;2.7281,-1.6333,-1.5978;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.015512"
                              y3="-0.808906"
                              z3="-0.499079"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.729332"
                              y3="-1.195643"
                              z3="1.031343"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.344681"
                              y3="-1.002954"
                              z3="-0.455186"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.01756"
                              y3="-1.995975"
                              z3="1.163744"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105435"
                              y3="-0.200389"
                              z3="-0.539671"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.171656"
                              y3="1.275413"
                              z3="-0.639936"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.174676"
                              y3="-1.975698"
                              z3="-0.916237"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.152282"
                              y3="-0.487643"
                              z3="-0.976592"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.912075"
                              y3="-1.708095"
                              z3="1.542202"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.847304"
                              y3="-0.221276"
                              z3="1.511463"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.91629"
                              y3="-2.983503"
                              z3="0.712711"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.85231"
                              y3="-1.486546"
                              z3="0.681244"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.271288"
                              y3="-2.131477"
                              z3="2.214012"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.489481"
                              y3="1.514541"
                              z3="-1.659875"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.220458"
                              y3="1.760892"
                              z3="-0.440843"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.950056"
                              y3="1.656991"
                              z3="0.020862"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.095526"
                              y3="-0.211039"
                              z3="-0.511566"/>
                        <atom elementType="O"
                              id="a18"
                              x3="1.00399"
                              y3="0.534806"
                              z3="-0.52779"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.66271"
                              y3="1.294747"
                              z3="0.980772"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.308552"
                              y3="0.998595"
                              z3="-0.491251"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.862792"
                              y3="2.225114"
                              z3="1.088009"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.14706"
                              y3="0.069276"
                              z3="-0.550494"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.395709"
                              y3="-1.398265"
                              z3="-0.608705"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.169167"
                              y3="0.550862"
                              z3="-0.99073"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.045048"
                              y3="1.927546"
                              z3="-0.997136"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.794065"
                              y3="1.743007"
                              z3="1.467082"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.873502"
                              y3="0.359335"
                              z3="1.505315"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.748985"
                              y3="1.781963"
                              z3="0.632217"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.668804"
                              y3="3.17693"
                              z3="0.592252"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.093097"
                              y3="2.432276"
                              z3="2.132098"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.186632"
                              y3="-1.673809"
                              z3="0.089066"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.500679"
                              y3="-1.984266"
                              z3="-0.416454"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.76919"
                              y3="-1.633438"
                              z3="-1.609319"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0155,-.8089,-.4991;-3.7293,-1.1956,1.0313;-3.3447,-1.003,-.4552;-5.0176,-1.996,1.1637;-2.1054,-.2004,-.5397;-2.1717,1.2754,-.6399;-3.1747,-1.9757,-.9162;-4.1523,-.4876,-.9766;-2.9121,-1.7081,1.5422;-3.8473,-.2213,1.5115;-4.9163,-2.9835,.7127;-5.8523,-1.4865,.6812;-5.2713,-2.1315,2.214;-2.4895,1.5145,-1.6599;-1.2205,1.7609,-.4408;-2.9501,1.657,.0209;-.0955,-.211,-.5116;1.004,.5348,-.5278;3.6627,1.2947,.9808;3.3086,.9986,-.4913;4.8628,2.2251,1.088;2.1471,.0693,-.5505;2.3957,-1.3983,-.6087;4.1692,.5509,-.9907;3.045,1.9275,-.9971;2.7941,1.743,1.4671;3.8735,.3593,1.5053;5.749,1.782,.6322;4.6688,3.1769,.5923;5.0931,2.4323,2.1321;3.1866,-1.6738,.0891;1.5007,-1.9843,-.4165;2.7692,-1.6334,-1.6093;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.013337"
                              y3="-0.804715"
                              z3="-0.459049"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.759775"
                              y3="-1.185597"
                              z3="1.026841"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.34057"
                              y3="-1.023662"
                              z3="-0.454527"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.039143"
                              y3="-2.00052"
                              z3="1.147228"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.108649"
                              y3="-0.209595"
                              z3="-0.526375"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.185629"
                              y3="1.264456"
                              z3="-0.646065"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.149751"
                              y3="-2.005358"
                              z3="-0.886961"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.141586"
                              y3="-0.529715"
                              z3="-1.005997"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.947143"
                              y3="-1.672849"
                              z3="1.568725"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.902647"
                              y3="-0.201929"
                              z3="1.480274"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.914794"
                              y3="-2.996588"
                              z3="0.721855"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.868987"
                              y3="-1.513676"
                              z3="0.634098"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.316237"
                              y3="-2.115397"
                              z3="2.194035"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.480056"
                              y3="1.490589"
                              z3="-1.675721"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.243848"
                              y3="1.760529"
                              z3="-0.427964"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.981885"
                              y3="1.644986"
                              z3="-0.006339"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.084547"
                              y3="-0.192565"
                              z3="-0.47364"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.997948"
                              y3="0.551478"
                              z3="-0.488723"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.704093"
                              y3="1.278564"
                              z3="0.980371"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.30062"
                              y3="1.019816"
                              z3="-0.487009"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.899017"
                              y3="2.216855"
                              z3="1.070548"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.142743"
                              y3="0.087351"
                              z3="-0.531795"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.390281"
                              y3="-1.37964"
                              z3="-0.599001"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.145693"
                              y3="0.586485"
                              z3="-1.024721"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.017168"
                              y3="1.960471"
                              z3="-0.958538"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.848669"
                              y3="1.704977"
                              z3="1.508546"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.941139"
                              y3="0.331393"
                              z3="1.471422"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.772191"
                              y3="1.794782"
                              z3="0.571719"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.680023"
                              y3="3.180716"
                              z3="0.609846"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.165119"
                              y3="2.396309"
                              z3="2.111397"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.194683"
                              y3="-1.654642"
                              z3="0.083602"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.500325"
                              y3="-1.966328"
                              z3="-0.387487"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.74293"
                              y3="-1.613607"
                              z3="-1.607068"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0133,-.8047,-.459;-3.7598,-1.1856,1.0268;-3.3406,-1.0237,-.4545;-5.0391,-2.0005,1.1472;-2.1086,-.2096,-.5264;-2.1856,1.2645,-.6461;-3.1498,-2.0054,-.887;-4.1416,-.5297,-1.006;-2.9471,-1.6728,1.5687;-3.9026,-.2019,1.4803;-4.9148,-2.9966,.7219;-5.869,-1.5137,.6341;-5.3162,-2.1154,2.194;-2.4801,1.4906,-1.6757;-1.2438,1.7605,-.428;-2.9819,1.645,-.0063;-.0845,-.1926,-.4736;.9979,.5515,-.4887;3.7041,1.2786,.9804;3.3006,1.0198,-.487;4.899,2.2169,1.0705;2.1427,.0874,-.5318;2.3903,-1.3796,-.599;4.1457,.5865,-1.0247;3.0172,1.9605,-.9585;2.8487,1.705,1.5085;3.9411,.3314,1.4714;5.7722,1.7948,.5717;4.68,3.1807,.6098;5.1651,2.3963,2.1114;3.1947,-1.6546,.0836;1.5003,-1.9663,-.3875;2.7429,-1.6136,-1.6071;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.009152"
                              y3="-0.791015"
                              z3="-0.498791"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.723041"
                              y3="-1.194886"
                              z3="1.032821"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.338168"
                              y3="-1.008625"
                              z3="-0.453622"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.004231"
                              y3="-2.005023"
                              z3="1.169208"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.103979"
                              y3="-0.195731"
                              z3="-0.54444"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.188441"
                              y3="1.279341"
                              z3="-0.657592"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.158029"
                              y3="-1.982475"
                              z3="-0.908877"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.150487"
                              y3="-0.506064"
                              z3="-0.980061"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.902212"
                              y3="-1.696229"
                              z3="1.548939"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.84937"
                              y3="-0.217818"
                              z3="1.505478"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.893532"
                              y3="-2.996041"
                              z3="0.727948"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.842063"
                              y3="-1.50805"
                              z3="0.678943"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.261121"
                              y3="-2.133978"
                              z3="2.219596"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.513722"
                              y3="1.506976"
                              z3="-1.677551"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.241554"
                              y3="1.775944"
                              z3="-0.465128"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.96777"
                              y3="1.658098"
                              z3="0.00374"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.072457"
                              y3="-0.174046"
                              z3="-0.512052"/>
                        <atom elementType="O"
                              id="a18"
                              x3="1.000909"
                              y3="0.55898"
                              z3="-0.525663"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.664798"
                              y3="1.290685"
                              z3="0.985442"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.3088"
                              y3="0.99849"
                              z3="-0.487238"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.873429"
                              y3="2.209409"
                              z3="1.09246"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.13969"
                              y3="0.079289"
                              z3="-0.547981"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.374701"
                              y3="-1.389291"
                              z3="-0.60758"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.165792"
                              y3="0.544672"
                              z3="-0.987111"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.051633"
                              y3="1.929518"
                              z3="-0.992815"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.80043"
                              y3="1.746385"
                              z3="1.472435"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.866056"
                              y3="0.352355"
                              z3="1.508669"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.754812"
                              y3="1.75952"
                              z3="0.6338"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.687865"
                              y3="3.164358"
                              z3="0.599414"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.108176"
                              y3="2.412845"
                              z3="2.136329"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.164792"
                              y3="-1.67134"
                              z3="0.088499"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.475023"
                              y3="-1.967838"
                              z3="-0.414937"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.746483"
                              y3="-1.62504"
                              z3="-1.608753"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0092,-.791,-.4988;-3.723,-1.1949,1.0328;-3.3382,-1.0086,-.4536;-5.0042,-2.005,1.1692;-2.104,-.1957,-.5444;-2.1884,1.2793,-.6576;-3.158,-1.9825,-.9089;-4.1505,-.5061,-.9801;-2.9022,-1.6962,1.5489;-3.8494,-.2178,1.5055;-4.8935,-2.996,.7279;-5.8421,-1.508,.6789;-5.2611,-2.134,2.2196;-2.5137,1.507,-1.6776;-1.2416,1.7759,-.4651;-2.9678,1.6581,.0037;-.0725,-.174,-.5121;1.0009,.559,-.5257;3.6648,1.2907,.9854;3.3088,.9985,-.4872;4.8734,2.2094,1.0925;2.1397,.0793,-.548;2.3747,-1.3893,-.6076;4.1658,.5447,-.9871;3.0516,1.9295,-.9928;2.8004,1.7464,1.4724;3.8661,.3524,1.5087;5.7548,1.7595,.6338;4.6879,3.1644,.5994;5.1082,2.4128,2.1363;3.1648,-1.6713,.0885;1.475,-1.9678,-.4149;2.7465,-1.625,-1.6088;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.013042"
                              y3="-0.808968"
                              z3="-0.483393"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.743777"
                              y3="-1.188818"
                              z3="1.031325"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.341942"
                              y3="-1.01591"
                              z3="-0.453034"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.028302"
                              y3="-1.995119"
                              z3="1.159812"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105773"
                              y3="-0.207595"
                              z3="-0.5352"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.179957"
                              y3="1.267536"
                              z3="-0.647271"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.16085"
                              y3="-1.994184"
                              z3="-0.897861"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.146607"
                              y3="-0.513482"
                              z3="-0.991383"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.929501"
                              y3="-1.687836"
                              z3="1.559972"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.873332"
                              y3="-0.207946"
                              z3="1.49495"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.915776"
                              y3="-2.988943"
                              z3="0.725516"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.86001"
                              y3="-1.498605"
                              z3="0.658855"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.295188"
                              y3="-2.116608"
                              z3="2.208573"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.480923"
                              y3="1.49766"
                              z3="-1.674304"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.234703"
                              y3="1.759056"
                              z3="-0.434868"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.971273"
                              y3="1.649587"
                              z3="-0.00248"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.087368"
                              y3="-0.201084"
                              z3="-0.495983"/>
                        <atom elementType="O"
                              id="a18"
                              x3="1.000253"
                              y3="0.544456"
                              z3="-0.510009"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.682176"
                              y3="1.285368"
                              z3="0.983214"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.303955"
                              y3="1.010916"
                              z3="-0.487274"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.880332"
                              y3="2.218607"
                              z3="1.083785"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.144076"
                              y3="0.079633"
                              z3="-0.542478"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.394169"
                              y3="-1.386933"
                              z3="-0.609121"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.157245"
                              y3="0.57261"
                              z3="-1.007329"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.029482"
                              y3="1.946474"
                              z3="-0.974716"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.820439"
                              y3="1.722247"
                              z3="1.491765"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.905183"
                              y3="0.342498"
                              z3="1.488991"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.759823"
                              y3="1.786658"
                              z3="0.604748"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.674242"
                              y3="3.177845"
                              z3="0.607571"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.129311"
                              y3="2.409944"
                              z3="2.126651"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.196323"
                              y3="-1.663253"
                              z3="0.075271"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.503044"
                              y3="-1.974649"
                              z3="-0.404448"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.752331"
                              y3="-1.617785"
                              z3="-1.616322"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.013,-.809,-.4834;-3.7438,-1.1888,1.0313;-3.3419,-1.0159,-.453;-5.0283,-1.9951,1.1598;-2.1058,-.2076,-.5352;-2.18,1.2675,-.6473;-3.1608,-1.9942,-.8979;-4.1466,-.5135,-.9914;-2.9295,-1.6878,1.56;-3.8733,-.2079,1.495;-4.9158,-2.9889,.7255;-5.86,-1.4986,.6589;-5.2952,-2.1166,2.2086;-2.4809,1.4977,-1.6743;-1.2347,1.7591,-.4349;-2.9713,1.6496,-.0025;-.0874,-.2011,-.496;1.0003,.5445,-.51;3.6822,1.2854,.9832;3.304,1.0109,-.4873;4.8803,2.2186,1.0838;2.1441,.0796,-.5425;2.3942,-1.3869,-.6091;4.1572,.5726,-1.0073;3.0295,1.9465,-.9747;2.8204,1.7222,1.4918;3.9052,.3425,1.489;5.7598,1.7867,.6047;4.6742,3.1778,.6076;5.1293,2.4099,2.1267;3.1963,-1.6633,.0753;1.503,-1.9746,-.4044;2.7523,-1.6178,-1.6163;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.013494"
                              y3="-0.810288"
                              z3="-0.482832"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.744435"
                              y3="-1.188964"
                              z3="1.031056"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.342517"
                              y3="-1.015391"
                              z3="-0.453203"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.029143"
                              y3="-1.994875"
                              z3="1.158994"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105679"
                              y3="-0.2080"
                              z3="-0.53484"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.178763"
                              y3="1.267161"
                              z3="-0.646876"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.162056"
                              y3="-1.993512"
                              z3="-0.898635"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.146954"
                              y3="-0.512222"
                              z3="-0.991156"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.93028"
                              y3="-1.688412"
                              z3="1.559442"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.873612"
                              y3="-0.208227"
                              z3="1.495065"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.916827"
                              y3="-2.988731"
                              z3="0.724739"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.860555"
                              y3="-1.498162"
                              z3="0.657759"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.296576"
                              y3="-2.116466"
                              z3="2.207604"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.48168"
                              y3="1.49775"
                              z3="-1.673198"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.232732"
                              y3="1.757862"
                              z3="-0.435877"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.968595"
                              y3="1.649476"
                              z3="-0.000403"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.087396"
                              y3="-0.202223"
                              z3="-0.495139"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.999811"
                              y3="0.543729"
                              z3="-0.50852"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.682959"
                              y3="1.285186"
                              z3="0.983065"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.303308"
                              y3="1.011075"
                              z3="-0.487146"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.880346"
                              y3="2.219439"
                              z3="1.082659"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.143787"
                              y3="0.079194"
                              z3="-0.541756"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.394696"
                              y3="-1.387215"
                              z3="-0.608453"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.156323"
                              y3="0.57354"
                              z3="-1.008301"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.0276"
                              y3="1.946613"
                              z3="-0.973919"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.821376"
                              y3="1.720962"
                              z3="1.492892"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.907322"
                              y3="0.342207"
                              z3="1.48808"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.759602"
                              y3="1.788742"
                              z3="0.60205"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.672779"
                              y3="3.178892"
                              z3="0.607493"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.130742"
                              y3="2.410356"
                              z3="2.125284"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.195471"
                              y3="-1.662936"
                              z3="0.07788"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.503602"
                              y3="-1.975525"
                              z3="-0.405586"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.755627"
                              y3="-1.617661"
                              z3="-1.614695"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0135,-.8103,-.4828;-3.7444,-1.189,1.0311;-3.3425,-1.0154,-.4532;-5.0291,-1.9949,1.159;-2.1057,-.208,-.5348;-2.1788,1.2672,-.6469;-3.1621,-1.9935,-.8986;-4.147,-.5122,-.9912;-2.9303,-1.6884,1.5594;-3.8736,-.2082,1.4951;-4.9168,-2.9887,.7247;-5.8606,-1.4982,.6578;-5.2966,-2.1165,2.2076;-2.4817,1.4977,-1.6732;-1.2327,1.7579,-.4359;-2.9686,1.6495,-.0004;-.0874,-.2022,-.4951;.9998,.5437,-.5085;3.683,1.2852,.9831;3.3033,1.0111,-.4871;4.8803,2.2194,1.0827;2.1438,.0792,-.5418;2.3947,-1.3872,-.6085;4.1563,.5735,-1.0083;3.0276,1.9466,-.9739;2.8214,1.721,1.4929;3.9073,.3422,1.4881;5.7596,1.7887,.602;4.6728,3.1789,.6075;5.1307,2.4104,2.1253;3.1955,-1.6629,.0779;1.5036,-1.9755,-.4056;2.7556,-1.6177,-1.6147;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.014126"
                              y3="-0.813181"
                              z3="-0.482632"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.746045"
                              y3="-1.188551"
                              z3="1.030838"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.343363"
                              y3="-1.01524"
                              z3="-0.453257"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.031232"
                              y3="-1.993667"
                              z3="1.158064"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105477"
                              y3="-0.209309"
                              z3="-0.534547"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.176974"
                              y3="1.265967"
                              z3="-0.646182"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.163734"
                              y3="-1.993458"
                              z3="-0.898839"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.147156"
                              y3="-0.511277"
                              z3="-0.991388"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.932458"
                              y3="-1.688369"
                              z3="1.559726"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.874772"
                              y3="-0.207618"
                              z3="1.494555"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.919061"
                              y3="-2.987971"
                              z3="0.724779"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.86191"
                              y3="-1.497031"
                              z3="0.655516"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.300018"
                              y3="-2.114493"
                              z3="2.206418"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.480318"
                              y3="1.497211"
                              z3="-1.672208"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.230298"
                              y3="1.755479"
                              z3="-0.435286"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.966173"
                              y3="1.648712"
                              z3="0.000814"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.088366"
                              y3="-0.205552"
                              z3="-0.494183"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.999019"
                              y3="0.541851"
                              z3="-0.506101"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.684712"
                              y3="1.284458"
                              z3="0.983085"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.302006"
                              y3="1.012026"
                              z3="-0.486586"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.880522"
                              y3="2.220807"
                              z3="1.081197"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.143432"
                              y3="0.078637"
                              z3="-0.540588"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.396548"
                              y3="-1.38738"
                              z3="-0.608064"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.154458"
                              y3="0.576638"
                              z3="-1.010473"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.023682"
                              y3="1.947806"
                              z3="-0.971419"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.823606"
                              y3="1.717668"
                              z3="1.495942"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.912018"
                              y3="0.3410"
                              z3="1.485901"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.759294"
                              y3="1.792886"
                              z3="0.597197"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.669845"
                              y3="3.180846"
                              z3="0.608546"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.133679"
                              y3="2.410387"
                              z3="2.123413"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.196288"
                              y3="-1.662128"
                              z3="0.079924"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.506012"
                              y3="-1.977172"
                              z3="-0.407158"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.760417"
                              y3="-1.616607"
                              z3="-1.613477"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0141,-.8132,-.4826;-3.746,-1.1886,1.0308;-3.3434,-1.0152,-.4533;-5.0312,-1.9937,1.1581;-2.1055,-.2093,-.5345;-2.177,1.266,-.6462;-3.1637,-1.9935,-.8988;-4.1472,-.5113,-.9914;-2.9325,-1.6884,1.5597;-3.8748,-.2076,1.4946;-4.9191,-2.988,.7248;-5.8619,-1.497,.6555;-5.3,-2.1145,2.2064;-2.4803,1.4972,-1.6722;-1.2303,1.7555,-.4353;-2.9662,1.6487,.0008;-.0884,-.2056,-.4942;.999,.5419,-.5061;3.6847,1.2845,.9831;3.302,1.012,-.4866;4.8805,2.2208,1.0812;2.1434,.0786,-.5406;2.3965,-1.3874,-.6081;4.1545,.5766,-1.0105;3.0237,1.9478,-.9714;2.8236,1.7177,1.4959;3.912,.341,1.4859;5.7593,1.7929,.5972;4.6698,3.1808,.6085;5.1337,2.4104,2.1234;3.1963,-1.6621,.0799;1.506,-1.9772,-.4072;2.7604,-1.6166,-1.6135;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.014005"
                              y3="-0.813945"
                              z3="-0.482235"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.747276"
                              y3="-1.187615"
                              z3="1.030874"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.343245"
                              y3="-1.016266"
                              z3="-0.453071"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.032203"
                              y3="-1.99317"
                              z3="1.157957"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105402"
                              y3="-0.210213"
                              z3="-0.534484"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.177296"
                              y3="1.265023"
                              z3="-0.646872"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.163055"
                              y3="-1.995031"
                              z3="-0.897228"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.146682"
                              y3="-0.513175"
                              z3="-0.992571"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.934035"
                              y3="-1.686294"
                              z3="1.561371"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.87691"
                              y3="-0.206042"
                              z3="1.492976"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.918959"
                              y3="-2.988221"
                              z3="0.726649"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.86252"
                              y3="-1.497936"
                              z3="0.653412"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.302305"
                              y3="-2.112306"
                              z3="2.206168"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.478646"
                              y3="1.495572"
                              z3="-1.673652"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.231177"
                              y3="1.754948"
                              z3="-0.434454"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.967899"
                              y3="1.647866"
                              z3="-0.001694"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.088501"
                              y3="-0.206049"
                              z3="-0.493406"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.998303"
                              y3="0.542057"
                              z3="-0.50428"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.686586"
                              y3="1.283305"
                              z3="0.983437"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.301123"
                              y3="1.013331"
                              z3="-0.485934"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.88183"
                              y3="2.220458"
                              z3="1.080822"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.142892"
                              y3="0.079416"
                              z3="-0.539739"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.396803"
                              y3="-1.386428"
                              z3="-0.608198"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.152801"
                              y3="0.579367"
                              z3="-1.012268"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.021381"
                              y3="1.949806"
                              z3="-0.968609"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.82625"
                              y3="1.714868"
                              z3="1.498966"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.915675"
                              y3="0.339079"
                              z3="1.483981"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.759891"
                              y3="1.794283"
                              z3="0.593992"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.66932"
                              y3="3.181279"
                              z3="0.610573"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.13717"
                              y3="2.408233"
                              z3="2.12283"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.197048"
                              y3="-1.661081"
                              z3="0.079231"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.506707"
                              y3="-1.976839"
                              z3="-0.407137"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.760395"
                              y3="-1.614909"
                              z3="-1.613881"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.014,-.8139,-.4822;-3.7473,-1.1876,1.0309;-3.3432,-1.0163,-.4531;-5.0322,-1.9932,1.158;-2.1054,-.2102,-.5345;-2.1773,1.265,-.6469;-3.1631,-1.995,-.8972;-4.1467,-.5132,-.9926;-2.934,-1.6863,1.5614;-3.8769,-.206,1.493;-4.919,-2.9882,.7266;-5.8625,-1.4979,.6534;-5.3023,-2.1123,2.2062;-2.4786,1.4956,-1.6737;-1.2312,1.7549,-.4345;-2.9679,1.6479,-.0017;-.0885,-.206,-.4934;.9983,.5421,-.5043;3.6866,1.2833,.9834;3.3011,1.0133,-.4859;4.8818,2.2205,1.0808;2.1429,.0794,-.5397;2.3968,-1.3864,-.6082;4.1528,.5794,-1.0123;3.0214,1.9498,-.9686;2.8262,1.7149,1.499;3.9157,.3391,1.484;5.7599,1.7943,.594;4.6693,3.1813,.6106;5.1372,2.4082,2.1228;3.197,-1.6611,.0792;1.5067,-1.9768,-.4071;2.7604,-1.6149,-1.6139;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.013784"
                              y3="-0.813481"
                              z3="-0.483534"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.746971"
                              y3="-1.187352"
                              z3="1.030779"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.342978"
                              y3="-1.016455"
                              z3="-0.453212"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.031536"
                              y3="-1.993467"
                              z3="1.158153"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.10536"
                              y3="-0.210064"
                              z3="-0.53501"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.177789"
                              y3="1.265179"
                              z3="-0.647075"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.162562"
                              y3="-1.995327"
                              z3="-0.897038"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.146557"
                              y3="-0.513758"
                              z3="-0.992874"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.933574"
                              y3="-1.685475"
                              z3="1.561567"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.877084"
                              y3="-0.205648"
                              z3="1.492465"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.917668"
                              y3="-2.98875"
                              z3="0.727538"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.861993"
                              y3="-1.499015"
                              z3="0.653078"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.301794"
                              y3="-2.112055"
                              z3="2.20639"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.478127"
                              y3="1.495703"
                              z3="-1.674171"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.232066"
                              y3="1.755483"
                              z3="-0.433765"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.969167"
                              y3="1.64767"
                              z3="-0.00267"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.088393"
                              y3="-0.205383"
                              z3="-0.494476"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.997834"
                              y3="0.542751"
                              z3="-0.504406"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.686973"
                              y3="1.282821"
                              z3="0.983591"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.300767"
                              y3="1.013486"
                              z3="-0.485678"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.88225"
                              y3="2.21998"
                              z3="1.080702"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.142336"
                              y3="0.079836"
                              z3="-0.539512"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.395905"
                              y3="-1.386075"
                              z3="-0.607561"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.152116"
                              y3="0.579534"
                              z3="-1.012558"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.021062"
                              y3="1.950199"
                              z3="-0.967909"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.82695"
                              y3="1.714192"
                              z3="1.499801"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.916364"
                              y3="0.338408"
                              z3="1.483626"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.760014"
                              y3="1.794082"
                              z3="0.593097"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.669391"
                              y3="3.181013"
                              z3="0.611042"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.138222"
                              y3="2.407269"
                              z3="2.122641"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.195779"
                              y3="-1.660754"
                              z3="0.080277"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.505597"
                              y3="-1.976254"
                              z3="-0.406758"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.759903"
                              y3="-1.614915"
                              z3="-1.613011"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0138,-.8135,-.4835;-3.747,-1.1874,1.0308;-3.343,-1.0165,-.4532;-5.0315,-1.9935,1.1582;-2.1054,-.2101,-.535;-2.1778,1.2652,-.6471;-3.1626,-1.9953,-.897;-4.1466,-.5138,-.9929;-2.9336,-1.6855,1.5616;-3.8771,-.2056,1.4925;-4.9177,-2.9888,.7275;-5.862,-1.499,.6531;-5.3018,-2.1121,2.2064;-2.4781,1.4957,-1.6742;-1.2321,1.7555,-.4338;-2.9692,1.6477,-.0027;-.0884,-.2054,-.4945;.9978,.5428,-.5044;3.687,1.2828,.9836;3.3008,1.0135,-.4857;4.8822,2.22,1.0807;2.1423,.0798,-.5395;2.3959,-1.3861,-.6076;4.1521,.5795,-1.0126;3.0211,1.9502,-.9679;2.827,1.7142,1.4998;3.9164,.3384,1.4836;5.76,1.7941,.5931;4.6694,3.181,.611;5.1382,2.4073,2.1226;3.1958,-1.6608,.0803;1.5056,-1.9763,-.4068;2.7599,-1.6149,-1.613;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="O"
                              id="a1"
                              x3="-1.013287"
                              y3="-0.81255"
                              z3="-0.482754"/>
                        <atom elementType="C"
                              id="a2"
                              x3="-3.747128"
                              y3="-1.186474"
                              z3="1.031077"/>
                        <atom elementType="C"
                              id="a3"
                              x3="-3.342355"
                              y3="-1.01761"
                              z3="-0.45291"/>
                        <atom elementType="C"
                              id="a4"
                              x3="-5.030999"
                              y3="-1.993653"
                              z3="1.158977"/>
                        <atom elementType="C"
                              id="a5"
                              x3="-2.105381"
                              y3="-0.210251"
                              z3="-0.535274"/>
                        <atom elementType="C"
                              id="a6"
                              x3="-2.179105"
                              y3="1.264795"
                              z3="-0.649229"/>
                        <atom elementType="H"
                              id="a7"
                              x3="-3.160856"
                              y3="-1.997035"
                              z3="-0.895065"/>
                        <atom elementType="H"
                              id="a8"
                              x3="-4.146023"
                              y3="-0.516439"
                              z3="-0.993884"/>
                        <atom elementType="H"
                              id="a9"
                              x3="-2.933622"
                              y3="-1.682984"
                              z3="1.563217"/>
                        <atom elementType="H"
                              id="a10"
                              x3="-3.878513"
                              y3="-0.204171"
                              z3="1.491122"/>
                        <atom elementType="H"
                              id="a11"
                              x3="-4.915795"
                              y3="-2.989565"
                              z3="0.730179"/>
                        <atom elementType="H"
                              id="a12"
                              x3="-5.861596"
                              y3="-1.50092"
                              z3="0.652451"/>
                        <atom elementType="H"
                              id="a13"
                              x3="-5.301829"
                              y3="-2.110655"
                              z3="2.207244"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.478306"
                              y3="1.493633"
                              z3="-1.677047"/>
                        <atom elementType="H"
                              id="a15"
                              x3="-1.234107"
                              y3="1.756315"
                              z3="-0.435511"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-2.97161"
                              y3="1.647468"
                              z3="-0.006332"/>
                        <atom elementType="H"
                              id="a17"
                              x3="-0.087982"
                              y3="-0.203757"
                              z3="-0.493681"/>
                        <atom elementType="O"
                              id="a18"
                              x3="0.997345"
                              y3="0.54435"
                              z3="-0.502837"/>
                        <atom elementType="C"
                              id="a19"
                              x3="3.687971"
                              y3="1.281834"
                              z3="0.984238"/>
                        <atom elementType="C"
                              id="a20"
                              x3="3.300441"
                              y3="1.014311"
                              z3="-0.485005"/>
                        <atom elementType="C"
                              id="a21"
                              x3="4.883516"
                              y3="2.218671"
                              z3="1.081376"/>
                        <atom elementType="C"
                              id="a22"
                              x3="2.141706"
                              y3="0.081104"
                              z3="-0.539059"/>
                        <atom elementType="C"
                              id="a23"
                              x3="2.394689"
                              y3="-1.384828"
                              z3="-0.608617"/>
                        <atom elementType="H"
                              id="a24"
                              x3="4.151215"
                              y3="0.580658"
                              z3="-1.013074"/>
                        <atom elementType="H"
                              id="a25"
                              x3="3.020703"
                              y3="1.951683"
                              z3="-0.965934"/>
                        <atom elementType="H"
                              id="a26"
                              x3="2.82851"
                              y3="1.712796"
                              z3="1.501717"/>
                        <atom elementType="H"
                              id="a27"
                              x3="3.917663"
                              y3="0.336817"
                              z3="1.48298"/>
                        <atom elementType="H"
                              id="a28"
                              x3="5.760735"
                              y3="1.793196"
                              z3="0.592433"/>
                        <atom elementType="H"
                              id="a29"
                              x3="4.670368"
                              y3="3.1803"
                              z3="0.613079"/>
                        <atom elementType="H"
                              id="a30"
                              x3="5.140451"
                              y3="2.4046"
                              z3="2.123317"/>
                        <atom elementType="H"
                              id="a31"
                              x3="3.19439"
                              y3="-1.660481"
                              z3="0.079042"/>
                        <atom elementType="H"
                              id="a32"
                              x3="1.504158"
                              y3="-1.974899"
                              z3="-0.408467"/>
                        <atom elementType="H"
                              id="a33"
                              x3="2.758694"
                              y3="-1.612884"
                              z3="-1.614242"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a2 a4" order="S"/>
                        <bond atomRefs2="a2 a9" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a10" order="S"/>
                        <bond atomRefs2="a3 a7" order="S"/>
                        <bond atomRefs2="a3 a5" order="S"/>
                        <bond atomRefs2="a3 a8" order="S"/>
                        <bond atomRefs2="a4 a13" order="S"/>
                        <bond atomRefs2="a4 a12" order="S"/>
                        <bond atomRefs2="a4 a11" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a6 a14" order="S"/>
                        <bond atomRefs2="a6 a16" order="S"/>
                        <bond atomRefs2="a6 a15" order="S"/>
                        <bond atomRefs2="a17 a18" order="S"/>
                        <bond atomRefs2="a18 a22" order="S"/>
                        <bond atomRefs2="a19 a20" order="S"/>
                        <bond atomRefs2="a19 a21" order="S"/>
                        <bond atomRefs2="a19 a26" order="S"/>
                        <bond atomRefs2="a19 a27" order="S"/>
                        <bond atomRefs2="a20 a25" order="S"/>
                        <bond atomRefs2="a20 a24" order="S"/>
                        <bond atomRefs2="a20 a22" order="S"/>
                        <bond atomRefs2="a21 a30" order="S"/>
                        <bond atomRefs2="a21 a29" order="S"/>
                        <bond atomRefs2="a21 a28" order="S"/>
                        <bond atomRefs2="a22 a23" order="S"/>
                        <bond atomRefs2="a23 a33" order="S"/>
                        <bond atomRefs2="a23 a31" order="S"/>
                        <bond atomRefs2="a23 a32" order="S"/>
                     </bondArray>
                     <formula concise="C10H21O2">
                        <atomArray count="10 21 2" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">152.1058</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0133,-.8125,-.4828;-3.7471,-1.1865,1.0311;-3.3424,-1.0176,-.4529;-5.031,-1.9937,1.159;-2.1054,-.2103,-.5353;-2.1791,1.2648,-.6492;-3.1609,-1.997,-.8951;-4.146,-.5164,-.9939;-2.9336,-1.683,1.5632;-3.8785,-.2042,1.4911;-4.9158,-2.9896,.7302;-5.8616,-1.5009,.6525;-5.3018,-2.1107,2.2072;-2.4783,1.4936,-1.677;-1.2341,1.7563,-.4355;-2.9716,1.6475,-.0063;-.088,-.2038,-.4937;.9973,.5444,-.5028;3.688,1.2818,.9842;3.3004,1.0143,-.485;4.8835,2.2187,1.0814;2.1417,.0811,-.5391;2.3947,-1.3848,-.6086;4.1512,.5807,-1.0131;3.0207,1.9517,-.9659;2.8285,1.7128,1.5017;3.9177,.3368,1.483;5.7607,1.7932,.5924;4.6704,3.1803,.6131;5.1405,2.4046,2.1233;3.1944,-1.6605,.079;1.5042,-1.9749,-.4085;2.7587,-1.6129,-1.6142;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.017098601311</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.018956817216</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019200022879</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019296761568</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019304108513</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019310064353</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019313240747</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019317199107</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019320705367</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019323503726</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019324895895</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019325449119</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019325837214</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019326199853</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019326963968</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019328395412</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019344708601</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019344811046</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019368238291</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019449717116</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019493421976</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019479631229</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019470407092</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019502279867</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019503058669</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019504757619</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019504957275</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019504710708</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019504094532</scalar>
               </module>
               <module cmlx:templateRef="loewdin">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="33">0.342995 -0.014571 0.000065 0.020934 -0.139951 0.049463 0.044413 0.043103 0.024908 0.020126 0.016499 0.015824 0.021114 0.054029 0.030574 0.043254 -0.134815 0.337434 -0.014867 -0.000270 0.020800 -0.142390 0.049042 0.042860 0.044242 0.024830 0.020077 0.015784 0.016434 0.021006 0.043096 0.030279 0.053680</array>
               </module>
               <module cmlx:templateRef="mayer">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="33">8.2982 6.1231 6.1020 6.2399 5.7109 6.1945 0.8899 0.8926 0.9031 0.9152 0.9138 0.9163 0.8969 0.8732 0.8970 0.8826 0.6937 8.3022 6.1228 6.1022 6.2401 5.7115 6.1947 0.8930 0.8902 0.9034 0.9155 0.9163 0.9139 0.8971 0.8827 0.8979 0.8735</array>
                     <array dataType="xsd:double" dictRef="o:za" size="33">8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="33">-0.2982 -0.1231 -0.1020 -0.2399 0.2891 -0.1945 0.1101 0.1074 0.0969 0.0848 0.0862 0.0837 0.1031 0.1268 0.1030 0.1174 0.3063 -0.3022 -0.1228 -0.1022 -0.2401 0.2885 -0.1947 0.1070 0.1098 0.0966 0.0845 0.0837 0.0861 0.1029 0.1173 0.1021 0.1265</array>
                     <array dataType="xsd:double" dictRef="o:va" size="33">2.2645 3.8700 3.8360 3.9552 3.8397 3.9158 1.0229 1.0137 1.0085 1.0096 1.0041 1.0039 1.0056 0.9995 1.0227 1.0074 1.0091 2.2602 3.8702 3.8365 3.9553 3.8416 3.9160 1.0138 1.0229 1.0086 1.0096 1.0039 1.0041 1.0056 1.0073 1.0226 0.9995</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="33">2.2645 3.8700 3.8360 3.9552 3.8397 3.9158 1.0229 1.0137 1.0085 1.0096 1.0041 1.0039 1.0056 0.9995 1.0227 1.0074 1.0091 2.2602 3.8702 3.8365 3.9553 3.8416 3.9160 1.0138 1.0229 1.0086 1.0096 1.0039 1.0041 1.0056 1.0073 1.0226 0.9995</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="33">-0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -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="32">1.7032 0.4949 0.8788 0.9462 0.9950 0.9952 0.9709 0.9839 1.0015 0.9934 0.9925 0.9919 1.0109 0.9384 0.9843 0.9714 0.4854 1.7078 0.8795 0.9463 0.9952 0.9951 0.9704 1.0018 0.9839 0.9925 0.9935 0.9920 1.0101 0.9713 0.9847 0.9389</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="32">0 4 0 16 1 2 1 3 1 8 1 9 2 4 2 6 2 7 3 10 3 11 3 12 4 5 5 13 5 14 5 15 16 17 17 21 18 19 18 20 18 25 18 26 19 21 19 23 19 24 20 27 20 28 20 29 21 22 22 30 22 31 22 32</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="mullikenpopulation">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="33">-0.298218 -0.123133 -0.101991 -0.239944 0.289096 -0.194545 0.110079 0.107351 0.096915 0.084827 0.086250 0.083702 0.103072 0.126764 0.103005 0.117362 0.306340 -0.302160 -0.122825 -0.102197 -0.240073 0.288548 -0.194704 0.106995 0.109802 0.096553 0.084542 0.083650 0.086134 0.102934 0.117291 0.102111 0.126468</array>
                  </module>
               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="59">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</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="59">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</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="59"
                            units="nonsi:electronvolt">-528.7258 -528.6770 -287.2033 -287.1693 -283.8021 -283.7833 -283.6091 -283.5881 -283.2622 -283.2458 -282.2342 -282.2225 -37.3407 -36.8164 -29.2732 -29.1498 -27.6786 -27.6416 -26.0305 -25.7687 -24.0097 -22.8121 -22.6022 -22.0216 -21.0102 -20.3484 -20.0470 -19.9469 -19.5144 -19.3649 -19.0435 -18.7095 -17.7178 -17.4955 -17.3982 -17.3542 -17.0846 -16.9367 -16.6730 -16.4860 -16.3477 -15.9066 -15.4045 -15.2179 -15.0873 -15.0409 -15.0266 -14.3988 -3.2661 -3.0894 -0.4286 0.0036 0.6132 0.6303 1.1455 1.1682 1.2667 1.2758 1.5735</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:double" dictRef="cc:frequency" size="99">0.00 0.00 0.00 0.00 0.00 0.00 19.31 23.29 29.52 56.41 64.36 74.96 88.32 102.56 119.50 125.47 136.55 185.69 219.44 235.57 247.47 248.40 324.84 345.52 401.40 440.66 544.87 589.11 599.99 629.69 760.79 762.51 842.06 848.01 888.86 889.41 906.47 922.30 990.14 994.45 1021.91 1025.70 1052.19 1058.23 1115.00 1123.20 1130.78 1140.40 1243.18 1244.48 1273.29 1283.23 1293.58 1319.60 1328.64 1336.41 1345.16 1350.76 1377.65 1381.93 1406.72 1411.65 1432.22 1432.85 1452.01 1458.79 1480.48 1483.81 1495.47 1497.41 1500.65 1501.28 1504.31 1504.78 1514.84 1515.27 1661.64 1713.58 1797.66 3064.34 3065.27 3068.05 3068.20 3069.01 3070.53 3086.91 3091.47 3106.01 3111.58 3140.61 3141.90 3143.67 3147.31 3152.33 3155.13 3157.98 3158.30 3188.75 3197.42</array>
                     <matrix cols="99"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="99">0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.018066 -0.034589 0.062456 -0.026257 0.087333 0.032659 0.021381 -0.080696 0.026225 -0.014275 0.076542 0.084639 0.006092 -0.063263 -0.024367 -0.021562 -0.076260 -0.174845 0.057013 -0.128851 0.148008 0.029391 -0.160639 -0.059905 -0.034470 0.167209 0.119677 -0.062173 0.139188 -0.088636 0.020798 0.027558 0.208039 -0.006719 -0.000876 -0.002996 -0.048022 0.196636 0.089268 0.029179 -0.187438 -0.214511 -0.043165 -0.034377 -0.175107 -0.063495 -0.027731 -0.256118 0.001173 -0.014347 0.038651 -0.014850 0.017166 0.046644 0.022459 -0.073713 0.039340 -0.027032 0.080379 0.024167 0.001740 -0.053492 0.098960 -0.002826 0.053665 -0.033187 0.036512 0.067477 -0.185497 -0.035424 0.162387 -0.056883 -0.071462 0.126235 0.139599 0.030983 -0.154273 0.120594 0.066329 -0.123407 -0.075153 -0.005814 0.024306 0.017670 -0.041059 -0.006278 0.215473 0.036548 -0.164200 0.110103 0.074155 0.022261 -0.247688 0.061750 0.022927 -0.204253 -0.001658 0.176098 -0.224011 0.005186 -0.010121 0.143305 -0.135497 -0.013445 -0.061622 0.004960 -0.045428 -0.026506 -0.135543 -0.030548 -0.167501 -0.000682 -0.027647 0.061355 -0.014495 -0.029561 0.043697 0.060346 -0.053725 0.014901 0.048006 -0.070867 -0.114565 -0.179846 0.012825 0.030654 -0.196069 -0.003978 -0.099466 -0.077544 -0.039795 -0.130388 -0.093087 -0.056557 -0.262461 -0.237506 -0.007851 -0.191331 0.071334 -0.041805 0.016032 -0.040423 -0.013434 0.121190 -0.075404 -0.036594 -0.027584 -0.004369 0.002864 0.170055 -0.012199 0.019506 0.155706 0.152634 -0.000487 -0.058990 -0.015324 0.050660 -0.023618 0.152586 0.010985 -0.165664 -0.008257 0.036581 0.064847 0.006015 0.040133 0.031977 -0.069785 0.080331 -0.136542 -0.080432 0.065228 0.043008 0.208474 -0.030551 0.058862 0.223524 -0.015929 -0.121270 0.099919 0.039879 -0.285400 0.085318 0.025722 -0.104771 0.273682 -0.024281 -0.189245 0.079558 0.046162 -0.051559 0.034185 0.027283 0.119764 -0.094786 0.050474 -0.006958 0.002735 0.112656 0.010656 0.060049 -0.028252 -0.003266 0.016251 -0.032703 -0.014828 0.131432 -0.133649 0.046448 -0.030914 0.039442 -0.054920 -0.123103 0.027526 -0.161939 0.071226 -0.031786 0.004786 -0.026356 -0.099027 -0.012065 0.112970 0.054394 -0.007059 -0.012535 -0.026707 -0.026959 0.208527 -0.136648 0.073996 0.079072 -0.220461 0.047905 0.161597 -0.125443 0.055188 -0.181927 -0.061268 -0.164017 -0.145239 0.100462 -0.231074 -0.119675 0.024590 -0.154732 0.008611 0.164052 -0.005264 -0.031460 0.127381 -0.015665 0.048510 -0.041726 0.011731 -0.000693 -0.019551 0.019714 0.129084 -0.141243 -0.018929 -0.056943 0.052648 0.044794 -0.149768 0.032709 0.135394 -0.039246 -0.080688 0.006971 0.052742 -0.003836 0.020259 0.094436 0.033851 0.025057 -0.020122 -0.056636 0.014694 0.084372 -0.220343 -0.030313 0.202096 -0.127644 -0.024016 0.162778 -0.153205 -0.025143 -0.149077 0.024908 0.130389 -0.181094 0.099524 0.192283 -0.192085 -0.051012 0.138610 -0.061876 -0.051128 -0.072540 0.067067 -0.063629 -0.002738 -0.067695 0.045668 -0.028797 0.001555 0.050137 0.052153 -0.039530 -0.003223 -0.056314 0.018032 -0.001681 -0.047848 -0.150008 0.073917 -0.126237 -0.093199 0.126708 0.085907 0.076500 -0.193946 -0.139420 0.210602 -0.096196 0.109030 -0.147136 0.086619 -0.072726 -0.007239 0.190109 0.202809 0.110182 -0.040072 0.070205 -0.044435 0.013134 -0.026450 0.051092 -0.040149 -0.107050 0.073197 0.024894 0.005617 -0.073340 -0.087512 -0.048965 -0.039921 -0.048341 -0.010333 0.102117 -0.069852 0.017853 -0.061316 0.078840 0.034882 0.028959 0.028634 -0.021715 -0.014141 0.017379 0.043822 0.066819 0.026713 0.095643 -0.096572 0.180919 -0.108602 -0.163348 0.116404 0.169233 0.132404 -0.210631 0.186620 0.254197 -0.109420 -0.128620 0.000062 0.175511 -0.201600 -0.125277 0.071758 0.137213 0.157082 -0.087370 -0.032641 0.128819 0.091457 0.047459 0.109337 -0.009054 0.181563 -0.001026 0.003039 0.076042 0.038803 -0.034903 -0.176462 -0.082888 0.080785 0.016998 0.040699 -0.114805 0.028356 -0.064455 0.050182 0.017149 0.009931 -0.071335 0.006416 -0.047234 -0.059650 0.172845 0.102779 -0.163292 0.165327 0.064960 -0.204042 -0.094583 -0.114132 0.186208 0.164362 -0.163580 0.139173 -0.132830 0.013342 -0.010431 0.179507 -0.033863 -0.057005 -0.137339 -0.159985 0.199051 0.008995 0.060218 0.036305 0.161878 -0.082334 -0.049482 0.307194 -0.120585 -0.149490 0.131165 0.014666 0.006785 -0.187683 -0.011163 0.045772 -0.193687 0.026338 -0.017803 0.010362 -0.011446 0.075506 0.002634 0.069749 -0.075880 0.040270 0.001255 0.062790 -0.029725 0.027893 0.058601 0.125952 -0.020039 0.103775 -0.036945 -0.022437 0.100233 0.059626 0.054809 -0.008441 0.050603 -0.003490 -0.052008 -0.041442 0.043062 -0.093049 0.007283 0.108545 -0.042833 0.090827 0.092140 -0.139423 0.046072 0.041174 0.133755 0.138177 0.037585 0.066448 0.193157 0.007803 -0.036444 0.139564 0.023185 -0.019653 0.016768 0.069980 -0.120496 0.003112 0.019133 -0.047599 -0.002679 -0.082180 0.120981 -0.003357 0.013562 -0.038920 0.002102 -0.009340 -0.040792 -0.010376 -0.002428 -0.025292 -0.061114 0.004038 -0.014037 0.051132 0.009942 -0.326206 -0.098265 0.284347 -0.142588 0.113716 -0.322734 0.157204 -0.152564 -0.022918 0.362527 0.134253 -0.019681 0.029770 0.002653 0.003186 -0.055285 -0.017345 -0.021832 -0.021678 0.000381 -0.026939 -0.049499 -0.026928 0.009739 0.007864 0.016039 -0.012655 0.034930 0.011957 -0.064784 0.092389 -0.001478 -0.006619 0.028911 -0.005608 0.075384 -0.087451 0.004339 -0.012276 0.036299 -0.002423 -0.012771 0.036864 -0.014330 0.008210 -0.010181 0.050875 0.028245 0.009791 -0.063360 -0.037407 0.262313 -0.098681 -0.242689 0.098783 0.094018 0.050821 -0.282565 0.130103 0.273517 -0.103858 -0.119666 0.011287 -0.015439 0.007320 -0.007378 0.033580 -0.021741 -0.009995 0.033358 -0.012698 -0.018365 0.045038 -0.018262 0.076906 0.063356 0.017926 0.055673 -0.068970 0.001945 0.081677 -0.076900 0.010040 -0.051470 0.097514 -0.024675 0.041460 -0.011163 0.019588 -0.055757 -0.012707 0.020215 0.130956 -0.073377 0.023476 0.070152 -0.117518 -0.011762 -0.005464 -0.183658 -0.012217 0.177266 -0.067164 0.034385 -0.197745 0.107566 -0.087681 0.009333 0.244096 0.017918 -0.052034 0.070925 -0.027771 -0.002300 -0.030862 0.000651 -0.101903 0.051358 0.078295 -0.119276 -0.063652 -0.029173 0.092535 0.131180 0.000123 0.018942 0.087193 -0.027196 0.060571 -0.117101 -0.006880 0.041140 -0.075949 -0.010538 -0.111049 0.100563 0.004292 -0.012757 -0.003297 -0.013645 -0.129042 -0.022046 0.009902 0.015920 -0.106338 -0.025372 0.079142 -0.052987 0.011852 0.010966 -0.304466 0.068022 0.253157 -0.114161 -0.091997 -0.067286 0.330341 -0.117001 -0.339115 0.113507 0.135031 -0.063282 0.028035 0.005388 -0.173905 -0.074395 0.041368 -0.180663 0.048307 -0.014323 -0.109823 -0.061612 0.025853 -0.005780 0.034238 0.231077 -0.063462 -0.073184 0.055187 -0.011396 0.056975 0.088149 -0.084796 -0.066320 -0.091498 0.004217 0.042995 0.097351 0.021354 0.027348 -0.088609 -0.014301 0.085113 0.020390 0.001563 0.092670 0.103024 -0.093962 -0.138761 0.039470 -0.067223 -0.114594 0.143116 -0.082461 -0.018860 -0.202014 -0.053526 0.005821 -0.072998 -0.136150 -0.183644 -0.117971 -0.267098 -0.084819 -0.027624 0.081221 0.037745 -0.381447 0.193489 0.108565 0.082514 -0.003930 -0.001095 0.023906 0.032979 -0.005272 -0.251733 -0.018989 -0.054432 -0.038022 0.020962 0.057050 -0.071700 -0.032846 -0.052423 0.093942 0.048987 0.025792 -0.104860 0.101102 0.024532 0.078395 0.038719 0.104731 -0.083438 0.005603 0.080918 -0.013242 -0.040122 -0.107704 -0.027560 -0.025334 -0.092664 -0.108007 -0.010737 0.002991 0.085591 -0.023926 -0.008473 0.180747 -0.074561 -0.152833 0.122265 0.136782 0.126925 0.075081 0.124444 0.023234 0.180883 0.056954 -0.085991 0.086702 0.021189 -0.036969 0.036169 0.028610 0.014849 -0.011060 0.017488 0.033456 -0.011802 0.043246 -0.006969 -0.010977 0.040380 -0.004969 0.017083 0.099118 -0.001130 0.010440 -0.011457 0.037215 -0.031943 0.030935 0.070486 0.002671 0.039091 0.019810 -0.022300 0.020190 0.009192 -0.001106 0.060002 -0.001907 -0.018252 0.032411 -0.018768 -0.004566 0.049474 -0.018876 -0.010692 0.464233 -0.003980 -0.098553 0.043985 -0.023411 0.306543 -0.104242 0.026360 -0.262300 0.022659 -0.020551 0.027697 -0.036350 0.014429 -0.014128 -0.046251 -0.016533 -0.021350 -0.043502 0.015205 -0.029187 -0.042681 -0.026306 0.008344 -0.035541 0.013395 -0.002072 -0.049185 0.009441 0.033131 -0.047196 0.018905 -0.038643 -0.050651 0.020813 -0.012681 -0.047555 -0.022655 -0.018262 -0.056504 -0.028715 -0.039449 -0.041653 -0.019788 0.004746 -0.034105 -0.013986 0.030020 -0.049833 -0.053147 0.014886 0.219811 0.046169 -0.270530 0.022973 0.025248 0.405555 -0.461144 -0.053365 -0.104735 0.015742 -0.000086 -0.026775 -0.001937 0.013538 -0.004411 0.015281 -0.015825 -0.001873 -0.004328 0.017623 -0.004142 0.012260 -0.008516 -0.016792 -0.012319 -0.007558 0.008388 0.025436 -0.023665 0.019574 0.015350 -0.035547 -0.020009 -0.009505 0.025661 0.018657 -0.010425 0.022723 -0.026993 0.002546 0.004934 0.027244 0.005717 0.003565 -0.034432 -0.024576 0.048548 -0.005936 -0.444953 0.020471 0.143424 0.066226 -0.009645 -0.339320 0.243474 -0.026591 0.342006 0.021981 0.009540 -0.006277 0.006700 0.001166 0.026683 -0.006704 0.007912 0.002533 0.006584 -0.010106 0.001485 -0.008858 0.010482 0.003340 0.004945 -0.005081 0.017424 -0.013421 -0.007072 -0.006228 0.006951 -0.024461 0.013480 0.013376 -0.015653 -0.013051 -0.012931 0.014688 -0.013646 -0.013761 0.013687 0.017194 -0.000873 0.003050 0.024269 -0.003324 0.001871 -0.016862 -0.025152 0.029183 0.004019 0.247094 0.000057 -0.311207 0.054346 0.003546 0.331253 -0.411956 -0.028298 -0.148658 -0.050946 0.086443 -0.029590 -0.024402 -0.039618 0.015365 -0.039369 -0.028969 0.009993 -0.041098 -0.013199 0.029110 -0.081667 0.037377 -0.002962 -0.154304 0.031173 -0.017905 0.004066 -0.021999 0.013199 -0.066041 -0.067144 0.013128 -0.024625 -0.062180 -0.005739 0.003944 -0.043287 0.032071 -0.082024 -0.001294 -0.009585 -0.046113 0.026295 0.075863 -0.006889 -0.042783 0.034698 0.189508 -0.009791 -0.129789 -0.244715 0.085898 0.266903 -0.386604 0.000192 -0.292009 -0.044806 0.036213 -0.029116 0.075196 -0.045355 -0.015484 0.037470 0.022568 0.015087 0.079522 -0.027978 0.012773 0.026133 0.038008 0.026616 0.078989 -0.034893 0.002802 0.098772 -0.032550 -0.024974 0.094524 -0.044386 0.049462 0.093296 -0.043135 -0.025130 0.017547 0.032390 -0.026177 0.027769 0.040238 0.053803 0.053496 0.023670 0.088214 0.039467 0.014272 -0.028458 -0.024947 0.089356 0.030163 0.334711 -0.013342 -0.295958 0.169719 -0.042441 0.267249 -0.248425 -0.035967 -0.152649 -0.001921 0.060007 0.092909 0.071126 0.031873 -0.110816 0.026560 -0.051750 -0.131190 0.073477 0.064516 0.039032 -0.015878 0.013749 -0.023269 -0.111639 0.019968 0.083312 0.095124 -0.058945 -0.083569 0.012384 -0.109275 -0.161045 0.096296 0.064632 -0.118096 0.105721 0.063658 -0.167296 0.034508 0.017440 0.138925 0.050778 0.023057 0.036390 0.134632 0.180961 0.068087 -0.168475 0.101960 0.120287 -0.141319 0.065117 0.110652 -0.114984 -0.097018 0.151019 0.041450 0.044397 0.157180 0.012268 -0.048879 0.116139 -0.078240 -0.048889 -0.125047 -0.036079 0.049980 -0.154323 -0.077420 -0.080773 0.047618 0.022964 -0.013154 -0.026337 0.112290 -0.001700 0.092447 -0.027388 0.113456 -0.189192 -0.114091 0.053083 -0.099424 -0.104225 -0.089926 -0.133683 -0.115330 -0.092844 -0.190105 -0.057141 -0.029965 0.040410 -0.038859 -0.016104 0.164033 -0.132627 -0.223361 0.086906 0.077928 0.124058 0.185307 0.139456 -0.041577 0.093443 0.214929 -0.076623 0.148623 -0.040280 -0.023996 0.229178 0.048826 0.026047 -0.160472 -0.031793 -0.028226 -0.187971 0.068097 0.049467 0.071148 -0.031784 -0.025377 -0.002390 -0.033586 -0.019430 0.102320 -0.015354 -0.024494 -0.186592 -0.016243 -0.010238 -0.189960 0.101434 0.064367 -0.204249 0.099518 0.056122 -0.208160 0.024812 -0.018503 0.219255 0.014557 -0.029652 0.083002 0.180962 0.217886 0.119606 -0.085929 0.102480 0.147760 -0.036534 -0.033219 0.142928 -0.014909 -0.105712 0.181252 -0.060384 -0.036237 0.072259 -0.026470 -0.017891 -0.211590 0.043856 0.028575 0.129652 -0.011575 -0.022846 0.152211 0.054116 0.047810 -0.056534 -0.020321 -0.016070 -0.006200 -0.031236 -0.016691 -0.075490 -0.001748 -0.016980 0.159427 0.014136 -0.017129 0.146290 0.081516 0.064464 0.161937 0.084813 0.060676 0.169995 0.024809 -0.023380 -0.047803 0.026213 -0.022332 -0.189158 0.117989 0.205370 -0.100778 -0.002705 -0.086709 -0.139890 -0.035413 -0.018696 -0.097030 -0.092703 0.059605 -0.117404 0.058657 0.093086 -0.015810 0.065881 -0.002162 0.050125 0.103241 -0.008341 0.072331 0.034375 0.030670 -0.088271 0.055359 0.053600 0.025352 -0.060278 0.056534 -0.017880 0.168848 -0.009390 0.102034 0.072805 -0.083176 0.046929 0.023605 -0.032301 0.086188 0.059470 -0.007402 0.060082 0.080812 0.011281 -0.031542 0.128187 0.026241 -0.247879 -0.143497 0.079445 -0.129336 -0.049691 -0.000836 -0.033235 -0.107196 0.143856 -0.010857 -0.104500 0.014690 -0.048717 0.201675 0.103295 -0.048262 -0.041379 -0.097866 -0.035004 -0.095062 0.013078 0.084077 -0.146216 0.028828 0.099573 -0.032134 -0.050573 -0.121943 -0.024871 -0.077961 0.030330 0.069059 -0.053283 -0.022377 -0.104537 0.158627 0.060366 -0.262553 0.024061 0.159059 -0.033723 0.071734 0.134870 -0.093665 0.016204 0.088015 -0.184427 -0.061895 -0.386602 -0.104991 -0.008189 -0.001521 0.255006 -0.137860 -0.178262 0.105027 -0.021538 -0.052320 0.113284 -0.128175 -0.046420 0.071003 0.031690 -0.042509 0.008782 -0.005501 0.007609 -0.035578 0.059671 -0.011754 0.007806 -0.017307 -0.008809 0.010463 -0.010047 0.005333 0.004870 -0.012723 -0.001217 -0.006574 -0.013519 0.008030 0.038932 -0.043115 0.062701 0.024054 -0.060830 -0.074240 -0.021173 0.128313 0.030915 -0.097518 0.074685 -0.062485 -0.075573 0.150552 -0.393024 -0.125822 0.160338 0.396098 0.278284 -0.409472 0.030165 -0.020550 -0.006113 0.014071 -0.008777 -0.007414 0.003451 -0.002212 -0.025648 0.020719 0.007634 0.000039 0.003286 0.007284 -0.001076 -0.006343 -0.024438 0.038488 0.004899 0.010620 -0.011544 0.004516 0.009965 -0.004149 0.000113 0.005347 -0.006377 0.000065 -0.004729 -0.008541 -0.004798 0.023716 -0.042585 0.051688 0.037364 -0.029071 -0.046081 -0.020624 0.083486 -0.026683 -0.067144 0.045780 0.038976 -0.089764 0.092208 -0.263855 -0.058202 0.108987 0.264680 0.211266 -0.255125 -0.004792 -0.001745 -0.017476 -0.011861 -0.008075 -0.002584 -0.001927 -0.013969 -0.006825 -0.008729 0.017502 0.011472 -0.001750 -0.010604 0.043922 0.004640 0.026607 -0.012911 0.011085 0.016249 -0.000369 -0.017039 0.015266 0.000555 0.003652 -0.015002 0.000777 0.001478 0.059972 -0.032241 0.068829 0.031383 -0.058867 -0.039505 -0.009314 0.086585 0.042811 -0.057473 0.053166 -0.029147 -0.033519 0.112281 -0.293861 -0.060518 0.121817 0.228472 0.167610 -0.280299 -0.009171 -0.024419 -0.006286 0.002951 -0.025626 0.022691 -0.002493 -0.019649 -0.015493 0.005204 0.044004 0.021239 -0.003363 -0.016249 -0.010734 -0.000454 0.021152 -0.059825 0.008986 -0.040559 0.022745 0.011357 -0.022662 -0.002915 -0.023042 -0.010912 -0.002353 0.003623 0.018276 0.005164 0.003522 -0.052910 0.094251 -0.068036 -0.101341 0.050311 0.102082 0.025629 -0.120473 0.067171 0.089447 -0.070462 -0.043888 0.106864 -0.157197 0.345252 0.070120 -0.175022 -0.420565 -0.287167 0.379776 -0.026255 0.019399 0.024004 0.009590 0.030459 -0.016208 -0.005807 0.033249 0.016812 0.006275 -0.061367 -0.079915 0.029925 0.121661 0.089440 0.080589 -0.011290 0.020645 0.056483 0.132450 0.074024 -0.167715 -0.039774 -0.035074 0.002607 -0.111825 -0.048695 0.021911 -0.088997 -0.009815 0.096635 -0.056603 0.022844 0.130562 0.114808 0.068918 0.069103 0.099379 0.081251 0.088198 0.238885 0.133679 -0.279318 0.233354 0.120840 -0.289170 -0.089001 -0.065418 -0.242904 -0.116352 -0.057994 0.020816 -0.156612 0.024792 0.048980 -0.160143 -0.130831 0.011518 -0.101181 -0.117727 0.011643 -0.036544 -0.064801 -0.021995 0.075562 0.067791 -0.054787 -0.011193 0.015926 -0.036525 0.084894 0.063767 0.110161 -0.024823 -0.027545 -0.000421 -0.075865 -0.045097 -0.014160 -0.040544 0.019595 -0.089998 -0.067896 -0.010484 -0.057743 0.073894 0.053522 -0.043571 0.062340 0.060032 -0.061205 0.148643 0.101955 0.192254 0.154346 0.112979 0.180474 -0.053820 -0.039604 0.164427 -0.105553 -0.111626 -0.006604 -0.117375 0.009929 -0.034057 -0.083319 -0.057298 -0.013789 -0.042704 -0.073289 0.015123 0.055912 0.053483 0.046685 -0.050739 0.029422 0.021160 0.068734 0.036415 -0.083986 -0.041577 -0.045346 -0.006565 -0.057408 -0.061403 0.015743 -0.161501 0.013326 0.013778 -0.063574 0.091632 0.101239 0.063271 0.036264 0.017360 0.050789 0.044222 0.062137 0.138237 0.068069 -0.139319 0.119602 0.051099 -0.153794 -0.051337 -0.036388 -0.124603 -0.061415 -0.059522 0.016413 -0.075068 -0.034027 0.029184 -0.081216 -0.102822 0.011420 -0.167607 -0.073668 0.026709 0.010970 0.102278 0.022138 -0.061528 -0.092047 0.056217 0.098825 -0.082971 0.032741 -0.093845 -0.063596 -0.111364 -0.000968 0.089035 -0.007359 0.108170 0.115565 0.018294 0.104584 -0.257453 0.188144 0.348980 -0.046713 -0.040101 -0.084206 -0.064231 -0.006205 -0.061342 -0.064865 0.105612 -0.154389 -0.072752 -0.213784 -0.201319 -0.118991 -0.177458 0.061688 0.046875 -0.171099 0.160515 0.236900 0.006743 0.191722 0.003630 0.056523 0.122516 0.134803 0.019356 0.131885 -0.023877 -0.010828 -0.045510 0.023363 -0.028172 -0.052886 0.157163 -0.014507 -0.020352 -0.019049 0.029979 0.111913 -0.068326 0.024921 -0.119718 -0.094278 0.001689 -0.375044 0.186202 -0.212751 0.067328 0.491336 0.113617 -0.025216 -0.006912 -0.085734 -0.031288 -0.011405 0.051136 0.004325 -0.031168 0.065527 -0.071241 -0.077293 0.056728 0.040337 0.008379 0.049513 -0.171233 -0.215679 -0.011944 -0.250824 0.156232 -0.003127 -0.236936 -0.269528 -0.037735 0.225732 0.070214 -0.010760 0.036827 0.007283 0.004690 -0.010679 0.004522 0.007695 -0.012102 0.033802 0.000013 -0.003932 -0.004983 -0.006756 0.037151 -0.014908 -0.005243 -0.020883 -0.023159 0.000827 0.007912 0.110097 -0.029347 -0.086691 0.034501 0.045465 -0.006207 -0.000464 0.018432 -0.007381 -0.003638 -0.009879 -0.014211 -0.019554 -0.012281 0.001341 -0.007215 -0.013593 0.008541 0.001168 -0.011215 -0.039846 -0.060909 0.007552 -0.055140 0.028209 -0.000205 -0.029621 -0.049441 0.003532 0.049652 0.007783 -0.007772 -0.017194 -0.008585 -0.025458 0.038794 0.034368 -0.000665 -0.017710 -0.010698 0.021804 0.065230 0.010574 0.023405 -0.019234 0.016245 -0.006232 0.027670 0.049213 -0.039152 0.072056 0.073464 -0.015800 -0.022485 -0.009561 -0.016767 -0.018407 -0.014583 -0.011071 -0.036765 -0.023773 0.047191 -0.043368 -0.026026 0.049049 0.031568 0.018586 0.038579 -0.044739 -0.044910 -0.012481 -0.067759 0.114393 -0.023723 -0.054122 -0.033639 -0.019471 0.134271 0.066449 -0.027801 -0.160403 0.000391 -0.029995 0.061047 0.010119 -0.058909 -0.038110 -0.150552 -0.013388 0.048697 0.041289 0.058438 -0.152248 -0.013388 0.063352 0.101941 0.054562 -0.007782 -0.141848 -0.426436 0.043818 0.156371 -0.183097 -0.191346 0.061213 0.027725 -0.070955 0.056314 0.040079 0.001612 0.125023 0.111435 0.135767 0.073382 0.081279 0.131503 -0.090035 -0.050141 0.110599 0.222157 0.245948 -0.069754 0.293107 -0.252207 -0.070149 0.175659 0.297513 -0.040408 -0.057725 -0.158467 -0.041157 -0.004381 -0.021817 -0.073586 0.136798 0.046907 -0.000350 -0.007507 -0.003147 0.016997 0.058825 0.097490 0.147182 -0.071108 0.100279 -0.004446 0.365583 0.088553 0.002764 0.161458 -0.050430 -0.125505 -0.022581 -0.014918 -0.036818 -0.014428 -0.026887 -0.061797 -0.072277 -0.038761 0.084228 -0.052510 -0.017735 0.078106 0.106652 0.081882 0.057155 -0.141258 -0.269280 -0.074959 -0.161847 0.348455 -0.177396 -0.171641 0.098092 -0.128676 -0.115470 -0.306355 -0.009739 -0.039508 -0.108886 0.024466 0.000039 -0.012272 0.036176 0.068898 0.027531 -0.000406 -0.004606 -0.002915 -0.008751 0.012801 0.061668 -0.074475 -0.048638 0.062277 0.001328 0.078599 -0.051031 0.078483 0.218609 0.062680 -0.020035 -0.009414 -0.010942 0.018250 -0.005240 -0.015734 0.030248 -0.024989 -0.010959 -0.039203 -0.038738 -0.027033 -0.043791 0.048128 0.047771 -0.031347 -0.104293 0.054743 0.063550 -0.114651 0.190039 0.086431 -0.067961 -0.130745 0.042285 -0.039802 -0.011603 -0.051283 0.011749 0.003449 -0.064264 -0.004489 -0.008512 -0.017678 0.036803 0.022733 -0.013293 -0.049911 0.009799 0.198589 -0.000257 -0.037821 0.027550 0.075160 0.026044 -0.058039 0.034462 0.019310 -0.047722 0.023428 0.018126 -0.066930 0.026410 0.015348 -0.083861 0.021504 0.013525 0.004873 0.021652 0.015700 0.005410 0.077786 0.048996 -0.000539 0.003117 -0.469720 -0.080799 0.049935 -0.017594 -0.246183 0.021248 0.277395 -0.144595 -0.157604 -0.015072 -0.027252 0.074748 0.089698 -0.053697 -0.014571 0.000577 -0.073216 -0.027475 0.003081 -0.006540 -0.032934 -0.025487 -0.009854 0.028430 -0.024087 0.200352 0.020392 -0.030654 0.018349 -0.051014 0.068896 -0.096924 -0.209001 -0.049322 -0.000702 -0.021849 -0.013644 -0.070605 -0.027577 -0.009644 -0.083071 -0.018451 -0.019036 0.010647 -0.004084 -0.006916 0.015199 -0.074061 -0.066735 0.007402 0.047701 -0.313411 -0.135090 0.012665 -0.104050 -0.235129 -0.021654 0.378019 -0.097861 -0.001362 0.072465 -0.043606 0.011507 0.009083 -0.047551 -0.044512 -0.025069 -0.015791 0.038822 0.023827 -0.015942 -0.052779 -0.025091 0.162158 0.023926 -0.073085 0.028576 -0.051419 -0.000113 -0.071113 -0.004671 0.050708 -0.004371 0.027963 0.025278 -0.056311 0.029338 0.024568 -0.074289 0.042336 0.025553 -0.019123 0.035763 0.019707 -0.015020 0.046377 0.023397 -0.015110 0.051572 -0.404601 -0.061277 0.102732 -0.128152 -0.200254 0.083787 0.261802 -0.108744 -0.012066 0.133818 -0.001562 -0.022543 0.058988 0.054082 0.012634 0.012504 0.061330 -0.037575 -0.028283 0.018964 0.044140 0.034317 0.017535 -0.058524 -0.033794 -0.204403 0.026385 -0.071504 -0.031428 0.002102 0.049604 0.017705 -0.020653 0.007947 0.076565 0.030801 0.034072 0.071811 0.033836 0.034475 0.091683 0.037939 0.027534 0.012294 0.043355 0.033286 0.015804 0.060504 0.042121 0.013216 0.042691 0.346459 0.129515 0.119154 -0.117977 0.252815 0.106649 -0.465703 0.095910 -0.044073 -0.169196 0.023095 -0.008107 -0.011492 0.021471 0.081061 0.044714 0.008265 -0.032208 -0.020070 0.013413 0.037534 0.053709 -0.083946 -0.033833 0.089850 -0.022832 0.185218 0.034389 0.072561 0.050697 -0.067251 -0.047843 -0.026370 -0.030737 0.030316 -0.024350 -0.030411 0.055948 -0.054851 -0.034425 0.042290 -0.045034 -0.021124 0.034733 0.002964 0.012226 0.027289 -0.094500 0.225616 0.026910 -0.131790 0.228033 0.096683 -0.123835 -0.193003 0.044802 -0.311906 -0.166082 0.017736 0.080351 0.245702 0.011366 -0.002629 0.016554 -0.005442 -0.077494 -0.035198 0.024057 0.016496 0.013954 0.009127 -0.051200 -0.066205 -0.040667 0.058067 -0.164697 -0.024266 -0.044020 0.201728 -0.116293 -0.316143 -0.044483 0.142427 0.009104 0.037739 -0.001802 0.002375 0.040541 0.040558 0.021993 0.011786 0.020575 0.048300 0.033610 0.034452 -0.001736 -0.021474 0.021225 0.109216 0.078579 0.021581 0.192769 -0.339983 0.073024 0.122830 -0.229668 0.017214 -0.000467 -0.001883 0.000143 -0.001416 0.002132 0.000177 0.000448 0.002085 -0.000283 -0.000553 0.000218 -0.000017 -0.000540 0.000570 -0.000446 0.000157 -0.001032 0.000147 0.007097 -0.001754 0.010989 0.002591 -0.005936 -0.010782 -0.003121 -0.013607 -0.011651 0.012676 -0.002422 0.013561 0.009137 0.000661 0.001356 -0.005772 -0.008651 0.000183 0.002584 -0.002680 0.000486 -0.001229 -0.001339 0.000399 -0.000924 0.001063 0.000154 -0.001285 -0.003692 0.000019 -0.012647 0.002059 -0.000580 0.004345 0.012598 0.001809 -0.047178 0.058522 0.000494 -0.019136 0.037780 0.001067 -0.010167 0.010874 -0.000120 -0.001674 0.000018 0.002433 0.008206 -0.034423 -0.003530 0.068832 -0.152980 0.298332 0.148009 -0.068732 -0.303638 -0.045141 -0.382969 0.363293 0.381934 -0.040447 -0.375766 -0.127950 -0.261072 0.018764 0.279801 0.059531 -0.025534 0.069284 -0.084709 -0.002725 0.003275 -0.046691 -0.001806 0.006086 -0.031799 -0.000042 0.001395 -0.038351 -0.005085 0.004388 0.006781 -0.002507 -0.041044 0.063191 -0.003920 -0.017652 0.035297 -0.001615 -0.007962 0.012683 -0.000744 -0.000116 -0.001896 -0.000198 0.003109 -0.027046 0.004517 0.134243 -0.075903 0.307640 0.048964 -0.172149 -0.292311 -0.087120 -0.389704 -0.347686 0.380244 -0.061531 0.374014 0.288574 0.033951 0.021963 -0.153458 -0.248830 -0.009958 0.060211 -0.093137 0.005125 -0.002547 -0.031978 0.005014 0.001200 -0.022363 -0.001493 -0.001050 -0.033612 0.002234 0.017358 0.015567 0.001993 -0.000428 -0.002040 -0.000196 0.001648 -0.002057 0.000598 0.000105 -0.001824 -0.000503 0.000705 -0.000149 0.000045 0.001185 -0.000651 -0.000730 -0.000605 0.003261 0.000329 -0.002941 0.003061 -0.009317 -0.004404 0.001642 0.008959 0.001840 0.012982 -0.011408 -0.012563 0.001281 0.013100 0.004927 0.009207 -0.000255 -0.009266 -0.001724 0.001191 -0.002508 0.002874 0.000300 -0.000191 0.003924 0.000039 -0.001526 0.004778 -0.000058 -0.000395 0.003528 0.000277 -0.087933 0.091115 0.001276 0.004137 -0.023808 -0.054568 0.158337 0.158844 0.084516 0.006376 -0.014860 -0.032371 -0.056071 0.052137 -0.048603 0.016285 -0.242480 -0.009890 0.351123 0.186402 0.107496 0.158176 0.048614 -0.011158 -0.008075 0.050735 0.031414 -0.194703 -0.083468 0.018267 -0.237316 -0.107648 0.127005 -0.041955 0.059530 0.120019 0.223445 0.224500 0.053453 0.005630 -0.024488 0.047984 0.039175 -0.362487 0.133187 0.014880 -0.396700 0.081103 -0.244175 -0.008458 -0.046279 -0.017789 -0.008988 0.002049 0.003939 -0.003547 -0.003451 0.015503 0.027424 -0.000431 -0.001779 -0.006526 0.002041 -0.020453 0.014291 0.009409 0.007959 -0.031265 -0.001444 0.010219 -0.008505 0.018457 0.064734 0.033781 -0.017645 0.010555 0.021959 -0.012573 -0.038787 -0.016417 -0.008133 0.004622 0.023810 -0.012758 -0.047281 -0.022869 -0.012782 0.006608 0.028572 -0.006611 -0.001291 -0.056836 -0.000808 0.004972 -0.030573 -0.005031 -0.002009 -0.031354 -0.004508 -0.017227 -0.002905 0.002774 0.000873 -0.004411 -0.007125 0.016155 0.021344 0.010048 0.002440 -0.002389 -0.004817 -0.012497 0.010116 -0.004484 -0.001743 -0.026486 -0.001783 0.054807 0.023568 0.021583 0.012728 -0.005091 -0.008261 0.004851 0.012438 0.001977 -0.033316 -0.013102 0.001853 -0.039961 -0.015924 0.016888 0.001238 0.016481 0.015479 0.029027 0.035138 0.006579 -0.002966 0.001217 0.005261 0.003660 -0.045803 0.018403 -0.003556 -0.047701 0.009252 -0.035704 -0.040400 -0.035026 0.112908 -0.032522 0.001060 -0.009265 0.030430 -0.073136 -0.105271 -0.166695 0.106047 -0.024737 0.011421 -0.038505 0.064916 -0.042183 -0.030328 -0.032463 0.200970 -0.025104 -0.105967 0.027946 -0.049169 -0.371642 -0.206542 0.186138 -0.019512 -0.091286 0.009368 0.241647 0.131690 0.007464 0.003437 -0.116994 0.122433 0.290129 0.154939 0.122758 -0.200691 -0.290285 0.061447 -0.063154 0.353715 0.073901 -0.069733 0.320851 0.130576 -0.003449 -0.025255 0.044672 -0.003224 -0.011776 0.002857 -0.038796 -0.010586 -0.104830 0.022898 -0.070837 0.134070 0.038750 0.062956 -0.060495 -0.012724 -0.031319 0.021338 -0.024840 0.049960 -0.040232 -0.215545 -0.010775 -0.095533 0.030394 0.168183 0.339001 -0.235913 -0.177664 0.039857 0.099674 0.015184 -0.121225 0.197331 0.007236 0.108158 -0.228713 -0.215994 0.116788 0.410448 0.111303 0.041383 0.033132 0.275735 0.001478 0.019563 -0.081697 0.085372 0.058935 0.053486 0.066600 0.005263 -0.003377 -0.071993 0.005119 0.007348 0.003014 0.016892 0.003795 -0.043355 -0.023739 0.029075 0.054891 -0.011689 -0.030911 -0.025668 0.008362 0.015840 0.009088 0.016347 -0.018535 -0.018043 -0.018179 -0.086104 0.156314 0.089705 0.005097 -0.056460 0.103628 0.097382 0.022619 -0.051213 -0.017973 -0.053768 0.100648 0.119810 0.049805 -0.097466 -0.012327 0.049976 -0.181462 -0.062408 0.022135 -0.027927 -0.027050 0.032329 -0.019232 0.052350 0.041465 -0.001387 -0.133420 0.005174 -0.006320 -0.007134 -0.001469 -0.018534 -0.010088 -0.058695 0.002281 -0.020254 0.075321 0.026510 0.026495 -0.033045 -0.005604 -0.013806 0.008378 -0.009969 0.016531 -0.019213 -0.071158 -0.005590 0.012669 0.002363 0.041899 0.130672 -0.090684 -0.064751 0.000302 0.004447 -0.013395 -0.045210 0.039331 -0.012390 0.060751 -0.083641 -0.064686 0.062515 0.208485 0.091797 0.021542 0.015124 0.127780 0.002421 0.007017 -0.040420 0.043888 0.025782 0.007362 0.032985 0.041541 0.011595 0.002313 -0.009857 -0.003208 0.000614 -0.034495 -0.005569 0.087690 0.060043 -0.061088 -0.113554 0.019242 0.064593 0.052106 -0.011207 -0.033895 -0.013529 -0.034261 0.034843 0.035052 0.044461 0.197093 -0.346054 -0.198793 -0.007393 0.138587 -0.228213 -0.214367 -0.060209 0.122038 0.046466 0.115130 -0.224013 -0.271116 -0.103161 0.222424 0.031853 -0.103443 0.377960 0.115233 -0.046239 0.058315 0.065257 -0.064266 0.045007 -0.117054 -0.077635 0.010386 0.265624 -0.008404 0.031591 -0.024132 -0.002036 -0.020499 -0.035015 -0.077707 -0.138209 0.033840 0.090277 0.082181 -0.010718 -0.037704 0.019792 -0.017108 0.017063 0.012172 0.031824 -0.011567 0.038402 -0.096955 0.445314 -0.124954 -0.269385 -0.211398 0.143302 0.103483 -0.198158 -0.275657 -0.149839 0.093735 -0.342043 -0.095427 0.056651 0.196761 0.272030 0.041956 0.125990 0.285844 0.005764 -0.020844 0.064030 0.006537 -0.037060 0.112384 0.025705 -0.017137 -0.055706 0.008587 0.167371 0.048438 -0.018204 0.009939 0.010915 0.001599 -0.000017 -0.003832 0.006958 -0.025130 0.006510 -0.006308 0.011172 -0.005584 -0.000207 0.016157 -0.005031 -0.002692 0.004429 0.002683 -0.000263 -0.012583 -0.052535 0.062818 0.015914 -0.019199 -0.078474 0.040686 0.036807 0.039960 -0.044821 -0.030184 -0.022772 0.047354 0.066674 0.004303 -0.066077 -0.019666 0.004595 -0.024380 0.028927 0.002565 -0.002536 -0.011437 0.002025 -0.011760 0.027654 0.000228 -0.002866 -0.007185 -0.000880 0.016683 0.009463 -0.000020 -0.003987 -0.004054 -0.009912 -0.029185 0.000079 0.010216 0.013125 -0.002786 -0.002980 0.010835 -0.005892 0.003894 0.006227 0.007596 -0.000730 -0.014222 -0.026121 0.072890 -0.019562 -0.042000 -0.043879 0.029381 0.017418 -0.040416 -0.039068 -0.022957 0.020168 -0.051850 -0.011381 0.001097 0.041266 0.048438 -0.000903 0.001448 0.035636 -0.002054 -0.004841 0.002616 0.001442 -0.009013 0.036125 0.000015 -0.002628 -0.009382 -0.001040 0.031133 0.016970 -0.015378 -0.080948 -0.006293 -0.001851 0.040879 0.038261 -0.090218 0.165595 0.031640 0.109161 -0.102754 -0.020505 -0.058194 -0.039226 0.026580 0.018197 -0.011458 -0.068179 -0.010835 0.118383 0.238476 -0.139528 0.107060 0.187351 0.438916 -0.075321 -0.055075 -0.205376 0.243228 0.187261 0.095512 -0.131101 -0.246167 0.083065 0.282281 0.127288 0.081636 -0.213532 -0.355181 0.027792 0.022135 0.043967 0.000474 0.067763 -0.182030 0.020349 0.040665 -0.074212 0.009061 -0.004332 -0.005489 -0.000955 0.001827 0.001220 0.001706 0.007629 0.004457 -0.001424 -0.002275 -0.001374 -0.000647 -0.004292 -0.001412 -0.000927 -0.008499 -0.000731 -0.000221 0.008377 0.005071 -0.001961 0.008310 0.007146 0.000640 -0.000242 0.000210 0.003942 0.000333 0.000279 0.003193 -0.003798 -0.003084 0.002986 -0.005285 -0.002832 0.003003 0.002700 0.001487 0.001165 0.011703 0.011025 -0.003185 0.009259 -0.033664 -0.000758 0.008799 0.027937 0.003347 0.014504 -0.001505 0.024572 0.037324 -0.020273 0.006444 -0.000266 0.027096 -0.010797 0.049772 0.042340 0.021853 0.004039 -0.042927 -0.016885 -0.013655 -0.084362 -0.051661 -0.128796 0.030623 0.045139 0.269327 0.232449 0.217582 -0.048930 -0.052635 -0.109790 0.133350 0.076312 0.165854 -0.033664 -0.051964 -0.140986 0.117192 0.154118 0.019959 -0.170368 -0.056624 0.029379 -0.135289 0.013225 0.007297 0.135909 0.389191 -0.116747 0.164572 -0.435785 -0.063914 0.115827 0.427250 0.032506 -0.019409 0.028417 0.008453 -0.002187 -0.023245 -0.007829 -0.058945 -0.035342 0.026275 0.002308 0.035639 -0.025490 0.030937 0.072491 -0.078320 0.119954 -0.029674 0.065716 0.006424 0.013685 -0.060309 -0.291335 -0.205641 0.213166 -0.130292 -0.056317 0.153199 0.013668 0.025386 -0.104048 0.126650 0.018581 0.043723 -0.128382 -0.121196 0.040742 0.154223 0.007522 0.010918 -0.164004 -0.455327 0.036539 -0.104481 0.464012 -0.113874 -0.196621 -0.330294 -0.145487 -0.049116 -0.013459 0.059134 0.002926 -0.003738 -0.001264 -0.001671 0.000132 -0.000834 -0.000892 -0.000477 0.002227 0.001859 -0.000825 -0.001319 -0.003065 -0.002891 -0.006381 -0.004023 0.002866 0.004624 0.012628 0.011951 0.013875 -0.002123 -0.003040 -0.002238 0.006895 0.003615 0.010523 -0.002282 -0.002424 -0.005113 0.009578 0.010575 0.002775 -0.004955 0.000106 0.003246 -0.007743 -0.000086 0.001066 0.006371 0.003803 -0.007715 0.003374 -0.012585 -0.009536 -0.001058 0.026929 -0.000519 0.012783 -0.012491 0.012077 0.010146 0.015629 0.041024 0.040017 0.020753 -0.023488 -0.005519 -0.015012 -0.051022 -0.004917 -0.019972 -0.087722 -0.047990 0.020001 0.070448 -0.096103 -0.056476 0.098108 -0.015009 0.002951 0.048293 -0.049964 -0.042395 0.077515 -0.083572 -0.045997 0.140976 -0.134013 -0.099450 0.116755 -0.106057 -0.016826 0.115131 0.211507 0.157896 0.028965 0.100313 -0.210459 -0.036136 0.076509 -0.110696 -0.175847 0.006306 0.369971 -0.086300 0.006536 0.001883 0.146770 -0.009709 0.008718 0.016080 -0.016377 -0.019496 0.038116 -0.034368 -0.023800 -0.018542 0.010882 0.016699 -0.052450 -0.000366 0.012087 -0.102119 0.037370 -0.010463 0.082912 0.038027 0.023777 0.065179 0.094995 0.072155 0.098220 0.046132 0.048221 0.084438 0.070040 0.053094 0.132027 0.117524 0.046372 0.115933 0.124556 0.120999 0.114883 -0.194709 -0.171203 0.036431 0.059763 -0.356121 -0.096717 -0.070203 0.057007 -0.198166 -0.118849 0.257761 -0.047943 -0.025341 0.005095 -0.019127 -0.002549 -0.014460 -0.048985 -0.032169 -0.013819 0.031717 -0.002708 0.013597 0.055700 0.002190 0.019300 0.090429 0.042745 -0.024812 -0.075387 0.127324 0.075378 -0.106824 0.014471 -0.004024 -0.034409 0.056343 0.051360 -0.076207 0.100777 0.057118 -0.166317 0.144779 0.104743 -0.124024 0.097584 0.003039 -0.122543 -0.231198 -0.178788 -0.029537 -0.091072 0.235071 0.034955 -0.072388 0.081330 0.185286 0.004509 -0.367414 0.096576 0.052225 0.025486 -0.033105 -0.006857 0.014848 0.022498 -0.015488 -0.016831 0.041340 -0.029379 -0.021571 -0.023745 0.010214 0.013384 -0.052151 0.006266 0.005127 -0.098306 0.031918 -0.008313 0.081593 0.052015 0.036138 0.066103 0.078904 0.061904 0.080809 0.051445 0.050670 0.094689 0.067784 0.048770 0.123594 0.119212 0.051301 0.113817 0.110176 0.113818 0.113475 -0.196399 -0.165862 0.035287 0.063353 -0.328759 -0.097498 -0.063385 0.044437 -0.189800 -0.106971 0.264441 -0.044102 -0.008574 -0.007828 0.010156 0.214250 0.126808 -0.151787 -0.006064 0.005720 0.139219 -0.189454 -0.118952 0.013895 0.004941 0.000088 -0.037925 -0.011776 0.002224 0.032863 -0.105945 -0.055328 0.242330 -0.117596 -0.066668 0.244191 0.330785 0.213945 -0.242005 0.347096 0.190627 -0.243193 -0.226307 -0.122672 -0.006347 -0.209709 -0.156096 -0.005037 -0.230219 -0.147690 0.001007 0.030359 -0.095121 -0.006524 0.024519 -0.025867 -0.063814 -0.008311 0.117937 -0.037521 0.076444 0.008496 0.005450 -0.000780 0.006507 -0.002507 0.022694 0.018184 0.016284 0.000838 -0.000044 -0.016211 -0.019670 -0.016226 0.000377 0.007557 -0.001857 0.010547 -0.000328 0.000181 -0.009127 -0.013379 -0.011862 -0.029930 -0.022188 -0.015611 -0.034044 0.033868 0.027270 0.026224 0.034627 0.024010 0.021091 -0.024054 -0.020192 -0.001981 -0.030143 -0.020563 -0.001760 -0.020529 -0.014444 -0.000101 -0.007242 0.025783 0.010685 0.002552 0.005121 0.018979 0.009940 -0.032272 0.003124 0.007831 0.004785 0.000490 0.023342 0.017806 -0.018966 -0.003809 -0.005421 0.016899 -0.020165 -0.016692 0.001552 0.001286 -0.001864 0.001562 0.001985 0.003994 -0.000360 -0.041946 -0.022247 0.039849 0.003797 0.008034 0.018192 0.047839 0.025825 -0.047829 0.040785 0.019484 -0.017469 -0.039885 -0.018205 -0.001894 -0.013866 -0.006428 -0.000993 -0.030591 -0.010637 -0.000524 -0.003213 0.003994 0.000879 -0.002297 0.012381 0.000616 -0.001886 -0.002890 -0.000561 -0.047495 -0.009432 -0.010694 -0.000410 -0.006599 0.005299 -0.193462 -0.152201 -0.149194 0.017244 0.013518 0.141635 0.167961 0.134970 0.005414 -0.009346 0.001694 -0.012986 -0.005525 -0.005234 0.015002 0.103557 0.077163 0.234076 0.130740 0.100746 0.253727 -0.321460 -0.258613 -0.266191 -0.329298 -0.235659 -0.239202 0.184054 0.164044 -0.007427 0.222476 0.148488 -0.008083 0.205872 0.155143 -0.006463 0.016331 -0.022311 -0.018544 0.006520 -0.035565 -0.021328 -0.003684 0.047854 0.001317 -0.007760 0.032990 -0.020958 0.067057 0.091991 0.080654 0.011012 -0.064043 -0.085793 -0.039421 -0.063597 -0.085865 -0.022536 -0.023984 0.111818 0.071445 0.021784 -0.066370 -0.262544 -0.163265 0.036632 0.106028 0.143176 -0.031112 0.057818 -0.012227 0.003597 0.015671 0.002751 0.254939 -0.295340 -0.200726 0.173420 -0.163895 -0.000724 0.180435 0.234811 0.222629 0.024719 -0.148328 0.139212 0.034213 -0.101298 0.257800 0.155295 -0.013015 -0.323316 0.050900 -0.229210 0.012546 -0.024291 0.001017 -0.008983 0.010262 0.032322 0.032099 -0.035510 -0.004752 -0.012760 0.037025 -0.020454 -0.020594 0.036934 -0.022279 -0.006059 -0.051670 0.016860 0.008502 0.032139 -0.008228 0.016070 0.003920 -0.029925 -0.037235 -0.000517 0.021256 0.005616 -0.032679 0.008393 0.010429 -0.065602 -0.088861 -0.038399 -0.072047 -0.082339 -0.085477 -0.071061 0.097466 0.085474 -0.014191 0.020844 -0.115156 -0.028453 -0.036748 0.053931 -0.074459 -0.059058 0.082688 -0.016479 0.001869 -0.004457 -0.011128 0.061968 0.021728 0.060241 -0.027014 0.009402 -0.066402 -0.038074 -0.010374 -0.057879 -0.008031 -0.003318 0.070491 0.008383 -0.005358 -0.040818 0.082209 0.007647 -0.014384 -0.137367 -0.092555 0.011248 -0.003969 0.010381 0.150838 -0.011830 0.021707 0.043353 -0.065448 -0.090344 0.122319 -0.188413 -0.092741 0.113007 0.192042 0.089491 0.018199 -0.035774 0.116345 0.007366 -0.030518 0.008913 0.099418 0.030765 -0.108714 0.054604 0.091568 0.009827 -0.025549 0.011010 -0.008771 -0.022822 -0.077646 -0.078924 0.111818 0.006647 0.031108 -0.116572 0.044375 0.046733 -0.102449 0.026273 0.020362 0.126351 -0.044985 -0.014755 -0.073779 0.027146 -0.026763 -0.027721 0.081270 0.096187 -0.022615 -0.020597 0.011470 0.135298 0.008510 -0.003936 0.216151 0.237238 0.100482 0.201733 0.214502 0.227297 0.198711 -0.278616 -0.242047 0.038261 -0.053003 0.274978 0.065647 0.092127 -0.137933 0.175099 0.136931 -0.167591 0.038361 -0.042482 0.035047 0.007617 -0.075146 0.041251 -0.042604 0.077874 -0.081322 0.052014 0.049534 -0.035464 0.040184 -0.005458 -0.006665 -0.052625 0.048580 0.022742 0.031286 -0.396834 -0.151682 0.020537 0.385964 0.325387 -0.043283 0.036140 -0.049824 -0.292467 0.034138 -0.047290 0.168757 -0.136168 0.002924 -0.093179 0.245861 0.197295 -0.063839 -0.178179 0.026652 -0.015455 -0.061953 -0.152658 0.016713 -0.022338 0.202234 -0.074586 -0.083188 -0.068868 -0.076714 -0.220863 -0.043777 -0.014844 0.006692 -0.011713 -0.007206 -0.030436 -0.020897 0.045946 0.005188 0.001058 -0.048326 0.016407 0.010178 -0.038193 -0.004873 0.012817 0.042201 -0.012425 -0.001190 -0.023417 0.036900 0.025931 -0.014283 -0.007898 0.012261 -0.016656 0.009139 0.008973 0.088306 0.015974 0.002377 0.070725 0.098541 0.053005 0.074343 0.057518 0.074244 0.076554 -0.112447 -0.082248 0.013986 -0.024418 0.072183 0.023665 0.030401 -0.039136 0.057412 0.036667 -0.053285 0.010735 -0.001721 -0.000169 -0.000974 0.005047 -0.002719 0.005068 -0.000958 0.006906 -0.005237 -0.002892 0.002438 -0.003401 0.002694 -0.006911 0.002334 -0.001212 -0.000496 -0.001033 0.027106 0.010789 -0.002720 -0.016636 -0.016726 -0.002742 -0.005731 0.001488 0.025397 -0.006338 0.000777 -0.004878 0.006992 -0.001621 0.008340 -0.017697 -0.013208 0.006280 0.014676 0.000302 0.001356 0.005799 0.007452 -0.000529 -0.002606 0.000465 0.001396 0.008508 0.010901 0.003776 0.044199 0.043855 0.011195 -0.090681 0.026451 -0.004336 -0.069680 0.056889 0.012027 0.111237 -0.079690 -0.021064 0.048042 -0.043925 -0.016862 -0.021233 -0.021709 0.033596 0.074895 0.026226 -0.021144 0.380845 0.400703 0.031172 -0.389470 -0.200350 0.024310 0.025808 -0.057128 0.257697 0.040301 -0.053827 -0.240346 0.180662 0.210879 0.007700 -0.193618 -0.061139 0.050012 -0.121480 0.069923 0.005752 -0.073534 -0.149144 0.078363 -0.095588 0.298697 0.039967 -0.084549 -0.169655 -0.029963 0.027379 -0.001656 -0.000594 -0.026400 0.039417 -0.007383 -0.007059 -0.022489 -0.011996 0.019376 -0.026627 0.003952 0.023678 0.057482 0.011948 -0.020647 -0.015783 -0.008297 0.011112 0.009693 -0.075212 -0.180250 -0.089134 0.184075 -0.064795 -0.071695 -0.053841 0.066727 0.017672 0.066892 -0.092047 -0.025671 -0.023226 0.069921 0.073731 0.012278 -0.047075 0.053966 -0.004562 0.028475 0.002262 -0.017086 0.034240 -0.136421 0.024535 0.017662 -0.021419 0.040337 -0.050187 -0.133914 -0.007056 0.023952 -0.026185 0.001530 -0.077505 0.096053 0.011439 0.011584 -0.051488 0.020825 0.056494 -0.065396 -0.006289 0.025580 0.109856 -0.019808 -0.032515 -0.032263 0.014074 -0.337704 -0.217067 -0.404213 0.058966 0.072631 0.232884 -0.149773 -0.195370 0.136183 0.179619 0.062506 -0.172352 0.159360 0.206598 -0.042079 -0.235498 -0.091789 0.059689 -0.130387 0.130100 0.005294 0.042865 -0.030189 -0.068138 0.084160 -0.230285 -0.042030 0.046537 -0.001983 0.031883 0.012718 0.022873 0.000654 0.065852 -0.109849 0.006438 -0.017927 0.042495 0.016052 -0.050911 0.075316 -0.003971 -0.023267 -0.055459 -0.010169 0.018065 0.026283 0.008821 -0.166374 -0.117208 0.309587 0.320997 0.157806 -0.381749 0.183185 0.191206 0.109797 -0.200711 -0.056178 -0.188753 0.266094 0.083122 0.048625 -0.174392 -0.195786 -0.049224 0.108520 -0.160745 0.010362 -0.024858 0.002400 0.012277 -0.020474 0.123985 -0.036796 -0.033122 0.007447 -0.039926 -0.266170 0.000636 -0.021898 0.018306 -0.022751 0.000499 -0.031756 0.033948 0.007433 0.002963 -0.017791 0.000629 0.020794 -0.024914 -0.004271 -0.007321 0.039445 -0.004105 -0.011828 -0.008444 0.004329 -0.120757 -0.072795 -0.153661 0.041594 0.039815 0.089477 -0.046299 -0.066453 0.068814 0.078134 0.032765 -0.045034 0.066053 0.082412 -0.010794 -0.081946 -0.029419 0.027799 -0.051902 0.046845 0.001623 0.008789 -0.009156 -0.019030 0.030905 -0.078991 -0.011835 0.011375 0.004091 0.009597 0.072953 0.008405 -0.009089 -0.000442 -0.023084 -0.037091 0.005990 0.001769 -0.051081 -0.001204 0.021123 0.028298 0.049867 0.106399 0.036827 -0.036647 -0.012585 -0.022846 -0.313717 -0.227935 0.341421 -0.245694 -0.092874 0.245128 -0.018746 -0.008770 0.000766 -0.136623 -0.071356 0.023331 0.071763 0.055927 -0.040772 0.018882 -0.032170 -0.059063 -0.062034 -0.080817 -0.000997 0.061973 -0.017496 -0.049894 0.065894 -0.244268 0.059475 0.039848 -0.082220 0.110095 -0.487099 -0.192307 0.096838 0.006242 -0.026787 -0.003354 0.016440 -0.033611 0.001616 -0.003079 -0.010985 -0.008792 -0.021112 0.024575 -0.000762 -0.041742 0.041769 0.003113 0.002192 0.004136 -0.001259 0.120988 0.108612 0.094731 -0.129983 -0.099739 -0.111464 0.111524 0.102636 0.046601 -0.081868 -0.038668 0.040286 -0.043064 -0.059900 0.027234 0.094470 0.041323 -0.015647 0.043900 -0.051066 -0.002004 -0.027019 -0.058000 0.006863 0.033159 -0.046068 0.001028 -0.019198 -0.037082 0.002884 0.021378 -0.003760 -0.004994 -0.006648 0.001514 -0.010255 0.005620 0.008203 -0.006744 0.003848 -0.002853 0.008055 -0.002425 0.002248 0.006667 -0.003640 0.001750 -0.004854 -0.004055 -0.016845 0.047426 -0.073864 -0.028569 0.081555 -0.025623 -0.020321 -0.003435 0.005939 0.001624 -0.008235 -0.002703 0.007785 -0.018383 0.023936 0.012222 -0.011647 -0.024259 -0.003243 0.000024 0.005453 0.017655 -0.003874 0.001181 -0.010656 0.007213 0.006034 -0.004362 0.011486 -0.163884 0.039149 0.100202 0.029775 0.001568 -0.010087 -0.027388 0.029232 -0.044616 -0.054480 -0.012721 -0.077404 0.012974 -0.038918 0.036921 -0.054289 -0.101035 0.044799 0.019105 0.018564 -0.023262 0.163782 0.075141 0.211419 0.459095 0.394466 0.436388 0.032517 0.004274 0.076699 0.276316 0.196622 0.131773 0.013833 0.092017 -0.078823 -0.095682 -0.087060 -0.027540 0.056408 0.144661 -0.007162 -0.073945 0.097801 0.111339 -0.060911 0.177400 0.077434 -0.052642 0.065304 -0.052155 0.110730 0.009326 0.008622 -0.023405 0.017302 0.035432 -0.079860 -0.010478 0.067916 0.004604 -0.031717 -0.030694 -0.024112 -0.022735 -0.026897 -0.009006 0.013397 0.014522 0.350614 0.241958 -0.337531 0.082793 -0.007048 -0.182341 0.057215 0.016836 -0.089752 0.266465 0.153676 -0.172413 -0.059318 -0.057358 0.025557 0.020239 0.081649 0.058207 0.070989 0.112988 0.002011 0.005459 0.068860 0.015043 0.019790 0.004469 -0.073836 -0.047733 0.058162 -0.057096 -0.605299 -0.060146 -0.092981 0.017342 -0.038259 0.002155 -0.000753 -0.017477 0.000481 -0.000982 -0.014561 -0.013425 -0.012463 0.011933 0.000059 -0.050406 0.040053 0.003207 0.000481 0.004238 0.000624 0.067142 0.073925 0.024331 -0.054028 -0.040329 -0.035229 0.101796 0.080143 0.091099 -0.035104 -0.014372 0.025039 -0.015855 -0.019575 0.017358 0.058717 0.025245 -0.005549 0.029385 -0.019338 -0.003107 -0.025853 -0.055314 0.006025 0.032525 -0.046491 0.002004 -0.018405 -0.019032 0.001724 -0.030625 -0.007035 0.004012 0.014158 -0.000819 0.035658 -0.045889 -0.086659 0.039884 -0.026693 0.032032 -0.033227 0.060447 0.111638 -0.014628 -0.027827 -0.016566 0.002547 -0.064132 0.057206 -0.306740 0.190781 0.039370 -0.216567 0.294873 0.185097 -0.211829 -0.175657 -0.097392 0.196227 0.080434 -0.004655 0.083058 -0.128327 -0.075291 0.033975 0.110373 -0.014302 -0.001147 0.089192 -0.116563 -0.052317 0.075174 -0.215656 -0.009191 0.011880 -0.097722 0.089662 0.283439 -0.189260 -0.051644 -0.009985 0.006783 -0.000096 0.003427 -0.002368 -0.034827 -0.038112 -0.060044 -0.036542 -0.015829 0.012091 0.029581 0.040451 0.063453 0.012880 -0.017024 -0.009828 -0.004343 0.161104 0.065410 0.198217 0.009599 0.086351 0.235883 0.175843 0.140980 0.126005 -0.025362 -0.016987 -0.054388 -0.074157 -0.037071 -0.037411 0.035518 -0.019328 -0.061799 0.088722 0.027805 -0.000590 0.009492 -0.052537 -0.045787 0.059656 -0.118480 0.025317 0.066316 -0.054515 0.034865 -0.021573 0.008237 -0.004572 0.006484 -0.000138 -0.014566 0.011499 0.045396 -0.016624 0.020485 -0.027727 0.013666 -0.019131 -0.049284 0.005821 0.015834 0.001493 -0.000896 -0.032716 -0.049698 0.187876 0.011635 0.020521 -0.036157 -0.265763 -0.154755 0.255706 0.171932 0.097200 -0.178402 -0.087900 -0.020287 -0.036403 0.078249 0.052787 -0.004196 -0.059614 0.019996 -0.001818 -0.047016 0.047592 0.028126 -0.040333 0.105133 0.009108 -0.003037 0.043494 -0.044898 0.115234 0.024928 0.076489 -0.000896 -0.008204 -0.003944 -0.005963 0.000589 -0.028452 -0.011405 -0.074942 -0.027720 -0.032186 0.036029 0.024157 0.038597 0.071363 0.010386 -0.021660 -0.007913 -0.002827 0.045629 -0.002195 0.014302 0.036922 0.102582 0.307187 0.348652 0.268893 0.331874 -0.214342 -0.163161 -0.248166 -0.113360 -0.089306 -0.015292 0.108690 0.025777 -0.065341 0.098084 -0.010996 -0.000692 0.025431 -0.055405 -0.068548 0.064600 -0.132034 0.017618 0.085202 -0.070424 0.048312 -0.018722 0.003395 -0.000185 0.017918 -0.004522 0.008279 -0.046902 0.004464 0.009545 0.020401 -0.035138 -0.007034 0.040525 0.056812 -0.002244 -0.016131 -0.007233 -0.001426 -0.171596 -0.060319 0.104394 0.182634 0.048235 -0.308822 -0.278370 -0.152835 0.326756 0.275148 0.159773 -0.267744 -0.112633 -0.057138 0.004975 0.060785 0.068486 0.030834 -0.010834 0.046978 -0.005235 0.047699 -0.060800 -0.030763 0.036386 -0.114890 0.007204 0.012899 -0.053642 0.058192 0.079799 -0.107120 -0.003157 -0.011283 0.003302 0.000190 0.011202 -0.005604 -0.008177 -0.034693 0.005207 -0.008286 0.018361 -0.025547 0.007267 0.021303 0.035186 0.001664 -0.008174 -0.004588 -0.000020 0.137118 0.066481 0.230441 -0.106383 -0.056920 -0.089516 -0.191392 -0.139699 -0.235260 0.213135 0.164102 0.219551 0.042307 0.059012 -0.026408 -0.079432 -0.052561 -0.002059 -0.008559 0.038957 0.001817 0.007923 -0.032304 -0.027784 0.029428 -0.063795 -0.000498 0.026454 -0.033131 0.018153 -0.011624 -0.010389 -0.000223 0.014762 -0.002744 0.013572 -0.049225 -0.026757 0.020105 0.006796 -0.015446 -0.013225 0.055978 0.094459 -0.005034 -0.029281 -0.004849 -0.003763 -0.166479 -0.032166 -0.021472 0.167299 0.026369 -0.272563 -0.107353 -0.053085 0.158468 0.140008 0.081368 -0.126347 -0.051921 -0.039599 0.025619 0.010767 0.030799 0.028982 0.020499 0.026698 -0.004248 0.099491 -0.117092 -0.064454 0.065452 -0.194554 0.008970 0.028389 -0.106194 0.119789 0.008066 -0.047944 0.020962 0.016682 0.019222 0.000230 -0.011726 0.012244 0.028625 0.061781 0.037929 0.029243 -0.012108 0.021745 -0.024688 -0.058672 -0.127320 -0.007247 0.034650 0.009473 -0.001731 -0.249752 -0.101775 -0.385274 0.205469 0.065215 -0.006989 0.112546 0.073768 0.190682 -0.238860 -0.184616 -0.235103 -0.011849 -0.054540 0.049539 0.062684 0.069944 0.040092 -0.041100 -0.055280 -0.002605 -0.050825 0.124782 0.133551 -0.107389 0.227873 0.001329 -0.129782 0.134906 -0.086288 0.001612 -0.001726 0.041214 0.002049 -0.001288 -0.001307 0.007368 0.008238 -0.027342 0.004078 0.000702 0.002613 0.001880 0.005584 -0.005455 0.000829 0.002766 0.013380 -0.046991 -0.046361 0.077355 -0.060070 -0.025661 0.042720 -0.033781 -0.017681 0.037078 -0.000640 -0.001659 -0.002454 -0.015690 -0.001800 0.000649 -0.000331 -0.007042 0.000669 -0.019100 -0.011715 -0.004355 -0.034399 -0.059153 0.008047 0.013507 -0.022774 0.009613 -0.018331 0.043462 -0.033936 0.005086 -0.032275 -0.976521 0.000508 0.003677 0.028472 -0.002831 -0.000335 -0.000902 -0.001569 -0.003415 -0.014486 -0.002754 -0.000268 0.001278 -0.005364 -0.009525 -0.004072 0.002135 -0.002273 0.006931 0.025352 0.020981 0.008054 0.035198 0.032003 0.035165 0.025555 0.017191 0.031113 -0.000300 0.001698 0.001482 0.000081 0.004327 0.001288 0.011867 0.003708 0.001220 0.011225 0.007979 -0.003324 0.003022 -0.023034 -0.003007 -0.013340 0.026038 0.017907 0.009062 0.058605 -0.004933 -0.012172 -0.002974 -0.002284 -0.109932 -0.068764 0.092101 0.042524 0.023204 -0.030204 0.000022 -0.006070 -0.046576 0.002713 0.019972 0.004759 0.003207 -0.008926 -0.003810 -0.097266 -0.112599 0.230478 -0.086993 0.018935 0.167630 0.363069 0.225190 -0.352544 0.423814 0.243248 -0.419972 0.080031 -0.046952 0.083643 0.000451 0.108630 0.077295 0.140164 0.091828 0.000654 -0.037016 -0.016612 0.008351 -0.005429 -0.016529 0.042032 0.005682 0.002222 -0.005551 0.111239 -0.020504 0.019389 -0.004947 0.006516 -0.000966 0.025022 0.020586 0.019941 -0.011254 -0.009381 -0.008377 0.000588 0.002018 -0.009415 0.009992 -0.005951 0.001839 -0.001419 -0.000418 -0.001243 0.026917 -0.002526 0.050457 0.022240 0.037669 0.068293 -0.076240 -0.059706 -0.081086 -0.093073 -0.072917 -0.103129 -0.003988 -0.030654 0.014427 -0.025558 0.006046 0.014181 -0.032624 -0.027005 0.003506 0.005333 0.006880 -0.005131 -0.003986 0.007648 0.008591 0.014165 0.003386 0.003479 -0.015164 -0.001039 -0.000823 -0.025382 -0.016194 0.022308 0.012623 0.005118 -0.007885 0.000662 -0.000843 -0.011434 0.003161 0.003848 0.000743 0.002096 -0.005727 -0.001052 -0.030954 -0.028624 0.053358 -0.014421 0.005232 0.034282 0.083743 0.053689 -0.077803 0.098505 0.055282 -0.094072 0.015499 -0.012611 0.022669 -0.002912 0.023003 0.020509 0.030728 0.019203 -0.001162 -0.014866 -0.002724 0.005605 -0.009056 0.005759 0.017402 0.007706 0.013615 -0.005295 0.122858 -0.006401 0.010502 -0.004438 0.004397 0.001736 -0.106124 -0.083817 -0.089826 0.049102 0.039443 0.038652 -0.000613 -0.004439 0.044427 0.005116 0.004798 -0.007553 0.005678 -0.011781 0.004206 -0.135893 -0.033706 -0.210811 -0.079800 -0.132420 -0.235563 0.336152 0.270615 0.345489 0.379503 0.288641 0.390560 -0.004281 0.112638 -0.077559 0.097624 -0.034576 -0.075788 0.131814 0.109324 -0.008127 0.006574 0.041814 0.021833 -0.022812 0.014557 -0.040381 -0.044937 0.013637 -0.021780 -0.002335 0.005278 0.003187 -0.005653 0.000289 -0.001881 0.011741 0.019231 0.002492 -0.006081 -0.006932 0.003370 -0.029784 -0.073370 -0.015189 -0.018122 0.122188 -0.027383 0.116675 0.038247 0.003343 -0.019504 0.014314 0.050180 0.001799 0.001312 -0.014220 0.019089 0.009355 -0.013026 0.031889 0.010879 -0.023831 0.025340 0.028251 -0.012544 0.020513 0.028401 0.013106 0.196404 -0.572581 -0.236038 0.056967 -0.113664 0.200516 0.157335 -0.342904 0.456441 -0.041491 0.121269 -0.021372 -0.002146 0.000210 -0.000077 -0.004250 -0.001904 -0.002248 0.002804 0.005190 -0.000918 -0.001306 -0.002385 0.001030 0.000742 -0.018123 0.003978 -0.014064 0.039219 0.007701 -0.008024 -0.006197 -0.010109 0.020380 0.011897 0.002505 0.008615 0.009431 0.009641 0.018239 0.010999 0.010794 0.004854 0.012164 -0.001369 0.010405 0.001568 0.002448 0.008045 0.011601 -0.003530 0.073873 -0.124191 -0.155567 0.033541 -0.051431 -0.054885 0.098460 -0.179595 0.094282 0.002001 0.006181 0.000172 -0.000160 0.001327 -0.002998 0.005041 0.009129 0.000283 -0.003468 -0.003028 0.003150 -0.018842 -0.036092 -0.005169 -0.002080 0.045267 -0.009508 0.063465 0.016880 0.007739 -0.008394 0.015449 0.029506 -0.005806 -0.006069 -0.002566 -0.004767 -0.001144 0.000657 0.015653 0.007841 -0.015323 0.013261 0.010904 -0.010342 0.008778 0.011964 0.007384 0.044102 -0.192662 -0.073429 0.019584 -0.031631 0.076060 0.043626 -0.113902 0.139804 0.005848 -0.001838 0.013466 -0.004785 -0.014067 0.001533 0.005843 0.000114 -0.003373 -0.012427 -0.026004 -0.002005 0.007626 0.009614 0.005190 0.036119 0.094456 -0.013302 0.027199 -0.138107 -0.022432 0.037493 -0.021126 0.083638 -0.140026 -0.048481 0.030800 0.001121 0.002076 -0.015675 -0.012944 -0.010110 -0.013782 -0.030015 -0.039430 -0.018021 -0.041942 -0.022049 -0.032796 -0.022759 -0.037179 0.019399 -0.163800 0.384610 0.401423 -0.118533 0.154748 0.195328 -0.194196 0.562542 -0.252561 -0.001859 0.000387 -0.000621 0.000234 0.000162 -0.000085 0.000511 0.000210 0.000006 -0.003622 -0.002272 0.000533 -0.000049 -0.001190 0.000020 -0.000092 0.000055 -0.000417 0.000339 0.000044 0.000250 0.000183 0.000252 0.000573 -0.000061 0.000317 0.000732 0.000167 -0.000191 0.000909 0.015871 0.003126 -0.005798 0.009813 0.012564 -0.006232 0.014047 0.009300 0.006007 0.004456 -0.002476 -0.002091 -0.002592 0.004329 0.001039 0.004349 -0.001026 0.005522 0.016166 -0.001834 0.015565 -0.001792 -0.000146 -0.000088 0.021517 0.016501 0.013563 -0.002329 -0.003214 -0.000111 -0.111963 -0.087643 -0.018951 0.005097 0.007910 -0.003489 0.001435 -0.011958 -0.000581 -0.003176 -0.027469 0.023742 -0.035996 -0.005151 0.020678 -0.042689 -0.022671 -0.066405 -0.033256 -0.036428 -0.067974 0.281623 0.443286 0.197605 0.499211 0.164548 0.192749 0.416687 0.330375 -0.210381 -0.001753 0.032079 0.021049 -0.016298 0.019840 0.012524 -0.005539 0.043755 -0.015463 0.002434 0.000464 -0.000654 -0.019930 -0.011722 0.012061 0.000617 0.001757 0.001192 0.119201 0.074282 -0.021882 -0.003724 -0.006930 -0.002764 -0.001206 0.009781 -0.000746 0.038568 0.005248 0.013376 0.008693 0.027107 0.017151 0.040142 0.013597 -0.061465 0.031350 0.026720 -0.061922 -0.511772 -0.106579 0.198664 -0.325580 -0.403053 0.217120 -0.452824 -0.295024 -0.197854 0.013919 -0.034264 -0.014827 0.009243 -0.011848 0.004456 0.001926 -0.028467 0.025962 -0.022168 0.010189 0.023152 0.000839 -0.001495 -0.000625 0.001031 0.000694 0.000695 -0.000354 -0.000540 -0.000047 -0.003239 -0.002523 -0.000715 -0.000625 0.002297 -0.000064 0.000435 -0.001165 -0.000314 0.000888 -0.000711 0.002470 -0.003593 -0.001120 0.000816 -0.002552 -0.001800 -0.003268 -0.002037 -0.001754 -0.002641 0.008383 0.012533 0.006264 0.013991 0.004819 0.005788 0.011849 0.009009 -0.006085 -0.003867 0.004216 0.006656 0.000885 -0.001903 0.000052 -0.006108 0.003838 -0.003623 0.022586 -0.010095 -0.000715 0.003963 0.000597 -0.002737 0.006074 0.006178 0.014467 0.000038 0.001658 0.002437 -0.021625 0.006884 -0.012991 0.037359 0.035565 -0.028138 -0.043764 0.025580 -0.051234 0.023542 -0.044216 -0.064179 -0.009749 -0.011323 0.006258 -0.021636 -0.007341 0.004197 -0.005193 0.002722 -0.002351 0.000789 -0.008047 -0.008512 -0.002534 -0.009257 0.000462 -0.622061 -0.242239 0.100728 0.069281 -0.304227 0.547413 -0.070808 0.187868 -0.229773 0.048422 -0.047163 0.051749 0.002513 0.000080 -0.001904 0.001138 0.000826 0.001006 0.001345 0.001732 -0.001547 -0.000719 -0.000441 -0.001025 -0.005855 -0.003051 0.002773 0.006641 0.008861 0.004507 0.003104 -0.004224 0.006925 -0.001267 0.005059 0.006599 -0.004074 -0.004387 -0.002843 -0.005707 -0.003279 -0.003058 0.002796 0.001078 0.004031 0.001608 0.002177 0.003354 0.001904 0.000744 -0.001731 -0.018343 0.028215 0.037569 0.020412 -0.049176 -0.091454 -0.103023 -0.060372 -0.019415 0.009254 -0.004633 -0.001871 0.000383 -0.000236 -0.000395 0.000070 0.000009 0.004365 0.000664 0.000832 -0.000153 0.000132 0.009043 -0.000639 0.005146 0.003641 -0.004002 -0.026226 0.004689 -0.018135 0.003208 -0.020995 -0.021761 0.000466 0.000796 0.000608 -0.000968 -0.000783 0.000169 -0.003150 -0.001107 0.003064 -0.002141 -0.002618 0.001081 -0.003051 -0.004380 -0.001632 -0.107992 -0.020883 0.022766 0.020580 -0.066718 0.079011 -0.024921 0.030075 -0.053089 -0.054536 0.027183 0.050635 -0.018003 0.006923 -0.000547 -0.002670 -0.000588 -0.001961 -0.006372 -0.006881 0.016924 0.001107 -0.001042 0.001192 0.008169 -0.007147 -0.012398 -0.033259 -0.031516 -0.028405 -0.020122 0.082144 -0.086282 0.080550 -0.027482 -0.078544 0.003234 0.001484 0.006368 0.012774 0.010203 0.009891 -0.001463 0.000906 -0.005075 -0.001792 -0.001138 0.001899 -0.001764 0.007234 0.000379 0.089324 -0.222292 -0.226346 -0.098629 0.280742 0.531250 0.592794 0.290345 0.125634 0.015886 -0.006909 -0.001040 -0.000315 -0.000720 -0.003523 -0.001187 -0.001012 -0.006788 -0.000093 -0.000703 0.001716 -0.017426 0.000697 0.012114 0.006993 0.038771 0.017859 0.025784 -0.011759 0.031380 0.004465 0.039337 0.021971 -0.004008 0.023972 0.026104 0.024278 -0.006953 0.019337 -0.009920 0.005900 -0.016870 0.001391 -0.011744 -0.012373 0.007407 0.008790 0.004017 -0.044031 0.067632 0.033264 0.189962 -0.224742 -0.202914 -0.252991 -0.225018 -0.146536 -0.032083 0.026577 0.005316 -0.017478 0.003014 -0.001777 0.002390 0.002401 -0.005247 -0.000678 -0.002059 -0.011792 0.000211 0.001698 0.001843 0.020834 0.011110 0.019326 -0.009702 -0.058628 0.031564 0.010700 -0.041821 0.039975 -0.037118 0.013894 0.045158 0.005883 -0.047231 0.044305 -0.049570 0.008309 0.034369 -0.002186 0.013153 -0.013979 0.009754 -0.009292 -0.025311 -0.008033 -0.019001 0.006519 0.386815 0.371154 -0.258577 -0.318398 0.297247 -0.346692 0.104916 -0.115968 0.076190 0.008731 -0.000503 -0.002195 -0.000530 -0.001386 -0.003323 -0.006268 -0.003733 -0.018859 -0.000764 -0.002137 0.003961 -0.031989 -0.018767 0.016271 0.013677 0.066516 0.027752 0.133910 -0.029565 0.105211 0.020077 0.148749 0.087027 -0.005004 0.034464 0.038372 0.035491 -0.008796 0.026518 -0.020082 0.017731 -0.048313 0.001582 -0.030575 -0.029795 0.023089 0.032118 0.012460 -0.057889 0.077977 0.043127 0.289698 -0.330071 -0.312371 -0.385163 -0.364716 -0.208906 0.142573 -0.070164 0.020295 0.003043 0.004665 0.000915 -0.004206 -0.003816 0.003886 0.003245 0.004969 0.008115 -0.000369 -0.001591 -0.000325 -0.006058 -0.017166 -0.012244 0.006533 0.039242 -0.018856 -0.014282 0.006941 -0.022253 0.016234 -0.004802 -0.020611 0.000564 0.056041 -0.041785 0.054796 -0.008672 -0.037550 -0.000889 -0.008098 0.005584 -0.002121 0.007789 0.019489 0.006190 0.020301 -0.005135 -0.234714 -0.227817 0.155510 0.196123 -0.183306 0.202374 -0.068574 0.058083 -0.044900 -0.000587 -0.002076 -0.001269 -0.024844 -0.017211 -0.024185 0.039543 0.030834 0.017675 0.003507 0.002189 -0.001025 0.000541 -0.015871 0.013040 -0.000736 0.008234 0.000586 -0.295065 0.055973 -0.187518 -0.083143 -0.336887 -0.149002 0.035916 0.266679 0.164823 0.236688 -0.070428 0.187045 -0.014994 0.002529 -0.007636 -0.010084 -0.018105 0.000012 -0.006070 0.002509 -0.005287 0.013768 0.031790 0.001322 0.023943 -0.018506 -0.040681 -0.029033 -0.032644 -0.011768 -0.097340 0.099451 -0.005245 -0.002797 -0.000456 0.001507 -0.023443 -0.018865 0.025614 0.036411 0.034701 -0.020939 0.003597 0.002683 -0.000379 -0.002168 -0.019951 -0.011647 -0.001910 0.006297 -0.000296 -0.044760 -0.345169 0.170721 -0.300829 0.039721 0.197771 0.009285 0.272531 -0.181393 0.252590 -0.055401 -0.192559 -0.007549 -0.032235 0.012231 -0.027189 0.005483 0.020675 -0.000768 0.008083 0.002122 -0.005262 -0.033011 -0.010035 0.006071 0.011988 0.041923 0.034142 0.030443 0.007235 -0.006408 0.004070 -0.001312 -0.031318 -0.022002 -0.027251 0.033386 0.027141 0.010855 0.005287 0.003421 0.006671 -0.004968 -0.025038 0.010761 0.000722 0.010789 0.000611 -0.222119 0.045666 -0.144590 -0.070029 -0.264333 -0.111270 0.047970 0.342399 0.213594 0.305523 -0.088102 0.239542 -0.083950 0.034286 -0.094188 -0.011355 -0.102309 -0.074409 0.045709 0.042743 0.016373 0.022131 0.017949 -0.003958 0.018445 -0.003369 -0.039856 -0.022250 -0.039597 0.000661 0.016352 0.014431 -0.000852 0.004201 -0.004133 -0.000935 0.024983 0.020240 -0.025651 -0.030559 -0.029965 0.016809 -0.004334 -0.003546 0.004973 0.004886 0.021832 0.007738 0.002554 -0.000337 -0.002642 0.038565 0.286532 -0.139742 0.244346 -0.035235 -0.164172 -0.011120 -0.291288 0.193889 -0.270227 0.058298 0.205556 0.001948 0.075943 -0.057235 0.067740 -0.019996 -0.065282 -0.026676 -0.028339 0.010760 -0.041763 -0.002462 0.046246 0.034971 -0.056724 -0.009994 -0.056807 -0.015704 -0.019654 -0.000943 -0.000408 -0.000844 0.014282 0.008003 -0.001298 0.019993 0.015400 0.010416 -0.003874 -0.008019 -0.024433 -0.003538 -0.011518 0.007634 0.001164 0.011686 0.003446 -0.122305 0.024590 -0.071705 -0.033743 -0.140585 -0.056300 -0.031536 -0.141274 -0.080431 -0.139291 0.021917 -0.088138 0.246213 -0.082538 0.233776 -0.020415 0.261085 0.273955 -0.197295 -0.068741 -0.071058 0.001883 0.021408 0.004480 0.042371 -0.042835 -0.053672 -0.055314 -0.056333 -0.026921 -0.019826 0.037121 -0.000023 -0.001246 0.000841 0.000831 0.017198 0.012940 -0.001773 0.018845 0.017686 -0.013046 -0.003718 -0.007683 0.028065 -0.002011 -0.012902 -0.007131 0.000169 0.010299 -0.003783 -0.018999 -0.152773 0.069142 -0.131946 0.018749 0.080750 -0.020311 -0.187117 0.116312 -0.184511 0.019158 0.118790 -0.048767 0.281592 -0.316729 0.283385 -0.080016 -0.269258 -0.209047 -0.106130 0.084220 -0.045615 -0.057430 0.023540 0.038534 -0.027698 0.056511 0.004077 0.023325 -0.004351 0.004451 -0.003069 0.001122 -0.010144 -0.003971 0.008883 -0.030089 -0.024002 -0.013650 0.002888 0.009942 0.027922 0.006954 0.023019 -0.010454 -0.001819 -0.015722 -0.003736 0.177435 -0.037715 0.107485 0.053065 0.210304 0.082681 0.027123 0.086236 0.042659 0.095321 -0.002833 0.045663 -0.285342 0.087416 -0.251042 0.033984 -0.290643 -0.324800 0.238081 0.058657 0.083060 -0.012709 -0.024389 -0.001686 -0.045097 0.036194 0.066981 0.059568 0.069698 0.022856 -0.013370 -0.014674 0.002983 -0.002180 0.003174 0.000763 0.008307 0.005671 0.007563 0.026519 0.025462 -0.017409 -0.001846 -0.006105 0.024536 -0.006530 -0.019537 -0.007639 -0.001076 0.006191 -0.001194 -0.028280 -0.223994 0.104030 -0.191624 0.028495 0.122181 -0.017059 -0.081500 0.044675 -0.086453 -0.002673 0.043064 -0.047324 0.239951 -0.281165 0.245481 -0.068001 -0.231127 -0.191315 -0.090173 0.076275 -0.004303 -0.034416 -0.012066 0.001998 0.018312 0.042039 0.036242 0.022806 0.008727 -0.001413 0.000522 0.000006 0.011463 -0.019078 0.004608 -0.005366 -0.002439 -0.001510 0.025437 -0.037816 0.007634 0.003902 0.005060 -0.001704 -0.000206 -0.004228 -0.000899 0.006082 -0.016584 0.030906 0.024372 0.031511 -0.010497 0.044218 0.027282 0.003517 -0.036756 -0.020665 -0.010813 0.179309 0.198319 -0.463061 -0.275964 -0.158975 0.347069 -0.331872 0.607558 -0.014991 -0.005566 -0.003939 0.000972 -0.012042 0.010258 0.017836 0.015042 0.020535 0.003154 -0.001302 -0.009438 -0.001492 -0.000055 0.000505 0.000052 -0.000427 -0.000367 0.001180 0.001648 0.001667 -0.001106 0.000075 -0.000072 0.000680 -0.000859 -0.001467 -0.000217 -0.000181 -0.000437 0.000372 -0.001866 -0.014527 0.006816 -0.012043 0.002111 0.008216 -0.000538 0.005713 -0.004392 0.004847 -0.002094 -0.004902 -0.001600 0.006335 -0.008143 0.006606 -0.001908 -0.006514 -0.006094 -0.002860 0.002468 0.005837 0.002771 -0.005269 -0.005292 0.007058 -0.001482 0.005084 0.000380 0.001986 -0.000162 -0.000382 0.000035 0.000231 0.000158 0.000410 -0.000593 -0.000578 -0.000362 -0.000042 0.000011 0.000155 0.000118 0.000674 -0.000068 0.000053 0.000163 0.000194 0.003874 -0.001167 0.002981 0.001458 0.005251 0.002047 -0.000172 -0.002582 -0.001669 -0.002071 0.000929 -0.002089 -0.001478 0.000513 -0.001523 0.000294 -0.001529 -0.001931 0.001656 0.000545 0.000607 -0.001001 0.000211 0.000466 0.001871 -0.002830 -0.001380 -0.002395 -0.001738 -0.001695 0.001921 0.002018 -0.000588 0.001725 0.000264 -0.000080 -0.013701 0.017805 0.003326 0.003658 0.001687 -0.001026 -0.029297 0.035708 0.004818 -0.002570 -0.004848 -0.000963 -0.000282 0.002982 -0.000691 -0.020427 -0.025658 -0.013445 0.000872 0.016655 0.026086 -0.040412 -0.028721 0.003366 0.037667 0.024776 -0.011985 0.260687 0.187534 0.355037 -0.169076 -0.229699 -0.442089 0.402510 -0.567191 0.004283 -0.007767 -0.015078 0.000711 0.007487 -0.004075 0.013043 0.005203 0.003083 0.001463 0.003081 0.000560 0.001222 -0.012975 -0.012104 -0.039147 -0.028275 -0.020345 -0.013027 -0.001735 -0.002564 -0.017933 0.002771 0.009991 -0.010442 -0.000084 -0.008900 -0.002431 0.188259 -0.038207 0.120554 0.045696 0.212131 0.096818 -0.008636 0.236012 0.199402 0.190410 -0.095866 0.216573 0.146750 -0.055195 0.154035 -0.007476 0.161646 0.158146 -0.108445 -0.055745 -0.046902 -0.016995 -0.024453 -0.000719 -0.033653 0.029796 0.055616 0.043169 0.056146 0.014138 0.005516 -0.038733 0.001608 0.002229 -0.001327 -0.001419 -0.014201 -0.014322 0.047173 -0.026917 -0.023981 0.014852 -0.001415 -0.002395 0.021796 0.000927 0.011948 0.010425 0.000863 -0.008246 0.002746 0.024685 0.227383 -0.114852 0.200668 -0.028269 -0.132306 -0.036251 0.268237 -0.242094 0.236670 -0.098887 -0.248863 -0.030262 0.184332 -0.201273 0.183315 -0.055813 -0.183046 -0.127519 -0.077087 0.060426 0.035117 0.059463 -0.011834 -0.031171 0.018737 -0.059234 -0.018452 -0.028429 -0.000037 0.003922 -0.002073 0.001125 -0.014220 -0.013606 -0.043564 -0.036071 -0.026776 -0.016224 -0.001979 -0.003017 -0.020097 0.005823 0.017046 -0.012508 -0.000288 -0.010832 -0.002389 0.232824 -0.049608 0.151238 0.059965 0.267935 0.119220 -0.009606 0.264827 0.224717 0.213593 -0.107504 0.243186 0.163192 -0.060469 0.168707 -0.009050 0.178435 0.175675 -0.119192 -0.058770 -0.051611 -0.026908 -0.026430 0.002005 -0.032281 0.020847 0.063143 0.042246 0.063143 0.008332 -0.006702 -0.017526 0.011880 -0.000971 0.002249 0.000832 0.011464 0.011753 -0.038419 0.027803 0.025220 -0.015622 0.001539 0.002165 -0.018448 -0.006940 -0.014168 -0.009224 -0.001181 0.005179 -0.001294 -0.025376 -0.232208 0.116225 -0.203911 0.029641 0.134274 0.029838 -0.221976 0.201398 -0.195828 0.081682 0.206577 0.024467 -0.152858 0.165013 -0.151985 0.046085 0.150743 0.101427 0.061515 -0.048857 -0.008948 -0.042622 -0.009613 0.006652 0.011454 0.047473 0.036172 0.025452 0.007690 0.049632 0.040868 -0.000498 0.000783 -0.000377 -0.008030 0.020071 0.019366 0.006076 0.000739 0.000537 0.003161 -0.105220 -0.027691 -0.000209 0.010751 0.001783 -0.002421 -0.046736 0.024670 -0.026656 -0.007491 -0.060489 -0.025009 -0.012289 0.004516 0.012686 0.002097 -0.009131 0.006711 0.001204 0.001292 0.002073 0.002500 0.001216 0.001435 -0.017178 -0.011768 -0.003001 0.057979 -0.014618 -0.022003 -0.060929 0.135585 -0.009932 0.048409 -0.025422 0.064727 0.349784 -0.876089 0.029023 0.048752 0.006744 -0.002081 0.001272 -0.000177 0.006516 0.015455 0.010503 -0.005240 0.000626 0.000177 -0.002599 -0.109127 0.003834 0.002551 0.008254 -0.006719 0.002090 0.017116 -0.025497 0.027439 -0.056298 0.002018 0.012886 -0.011742 0.001199 -0.012739 0.002970 -0.007278 -0.004355 0.001697 0.001022 -0.002073 0.001387 0.001481 -0.000524 -0.013767 -0.009160 0.002945 0.057821 -0.009716 -0.060334 -0.075528 0.111351 0.001929 0.061009 -0.005605 0.023129 0.249166 -0.163351 0.013752 0.008432 -0.001928 -0.013728 0.058141 -0.013405 0.013387 0.001418 -0.001717 0.004847 -0.445211 0.268268 -0.023300 0.032665 -0.058204 -0.000445 -0.247568 -0.056826 0.025905 0.194892 0.094674 -0.112854 -0.045848 -0.009109 0.050523 0.006556 -0.009907 -0.003071 0.004149 0.001259 -0.003099 0.004954 0.005519 0.008798 -0.030917 -0.006503 -0.003368 0.146846 -0.064521 -0.044438 -0.129807 0.248588 -0.045601 0.100035 -0.147835 0.147891 0.221557 0.463863 -0.014397 -0.101638 0.015842 0.003274 -0.002448 -0.000236 -0.006808 -0.015675 -0.004351 0.005572 -0.000556 0.000102 0.002642 0.156857 -0.043057 -0.004817 -0.010350 0.013460 -0.002527 -0.037326 -0.006434 -0.030760 0.064669 0.009815 -0.002633 0.015528 0.003628 0.014237 -0.000440 0.007721 0.002392 -0.002226 -0.001857 0.002330 -0.002274 -0.001568 -0.000203 0.013656 0.007945 -0.002500 -0.058894 0.011860 0.058835 0.079240 -0.110018 0.003034 -0.055891 0.007175 -0.021263 -0.020974 -0.073507 0.003069 0.000950 -0.000405 0.003255 0.010178 -0.010546 -0.002037 -0.000290 -0.000836 -0.001194 -0.040609 0.063452 -0.003998 0.004302 -0.009026 0.002953 -0.034412 -0.023907 0.017275 0.047051 0.046301 -0.011557 -0.001479 -0.004328 0.004398 0.001877 0.005865 -0.005261 -0.000202 -0.001448 -0.000948 -0.000313 0.001251 0.000903 0.005399 0.005954 0.001643 0.004685 -0.017181 0.002893 0.018065 -0.030920 -0.021325 -0.018978 -0.045577 -0.006877 0.402773 0.769069 -0.016911 0.190932 -0.083689 -0.006059 0.004571 0.000036 0.004552 0.031821 -0.008007 -0.004420 0.000434 -0.001186 -0.001566 -0.296969 0.142728 0.010125 0.022962 -0.024869 -0.000747 0.102696 0.084870 0.050907 -0.115006 -0.045886 -0.020188 -0.022094 -0.009888 -0.023497 0.002799 -0.001828 0.003197 0.002505 0.003358 -0.003068 0.001508 -0.000011 0.001832 -0.009265 -0.001029 0.000141 0.040972 -0.090838 -0.054715 -0.059388 0.088898 0.024202 0.062866 -0.041045 0.021927 0.000077 0.000072 -0.000004 -0.000156 -0.000148 -0.000241 -0.000037 0.000023 -0.000048 -0.000001 0.000015 0.000019 0.000014 -0.000011 0.000026 0.000396 -0.001034 0.000773 -0.000032 0.000122 0.000074 0.000567 -0.000357 0.000387 0.002339 -0.001489 0.001482 -0.000502 0.003293 0.001497 0.000029 -0.000184 -0.000067 -0.000038 0.000024 -0.000009 0.000051 0.000022 -0.000178 -0.005232 0.004134 -0.018214 0.008220 0.004197 0.002120 -0.007809 0.003772 0.006731 -0.001803 -0.001484 0.000003 0.000590 -0.000020 -0.000129 -0.023651 -0.036242 0.050629 0.005796 0.005151 -0.008902 0.006988 0.007917 -0.006961 -0.001307 -0.000755 0.000518 -0.000745 0.001841 0.000070 -0.094823 0.049312 0.055194 0.031971 -0.104839 0.049300 0.449455 -0.241324 -0.261689 -0.175731 0.669430 -0.342236 -0.098242 0.050648 0.052747 0.032541 -0.134430 0.063779 -0.009669 -0.006265 -0.033071 0.017237 -0.004849 0.015371 -0.015066 -0.008556 0.003298 0.007318 -0.005045 -0.021982 0.000935 -0.000380 0.000021 0.000386 0.000054 0.000207 0.002240 0.000113 0.003021 -0.001890 -0.001080 -0.000194 -0.000927 -0.000226 -0.000877 -0.016159 0.042479 -0.032433 0.004847 -0.021916 -0.009615 -0.034647 0.021503 -0.022649 -0.004560 0.002741 -0.002373 0.000790 -0.005185 -0.002581 -0.003390 0.023513 0.010220 0.020751 -0.013024 0.012872 0.004468 0.001757 -0.020078 0.214784 -0.170676 0.751159 -0.340658 -0.170982 -0.083698 0.319441 -0.151937 -0.273067 -0.004906 -0.002184 0.000091 0.000151 -0.000012 0.000008 -0.000639 -0.000760 0.001192 0.000069 0.000168 -0.000188 0.000332 0.000325 -0.000196 0.000082 -0.000035 0.000006 0.000140 -0.000273 -0.000173 -0.001650 0.000864 0.000918 0.000906 -0.002767 0.001296 0.011356 -0.006076 -0.006556 -0.003982 0.014994 -0.007643 -0.004419 0.002272 0.002429 0.001357 -0.005509 0.002646 -0.000664 -0.000469 -0.002718 -0.002393 0.000964 -0.002184 0.002069 0.001457 -0.000556 -0.001712 0.001132 0.004740 -0.000586 0.000021 -0.000097 0.026191 0.032969 0.045705 -0.005913 -0.004635 -0.007926 -0.017051 -0.012833 -0.007064 0.001332 0.000637 0.000460 0.000269 -0.000968 -0.000143 -0.019379 0.101702 0.041716 0.082235 -0.052218 0.052003 -0.399227 0.259148 -0.254488 0.098450 -0.647144 -0.292145 -0.034669 0.253497 0.107607 0.192014 -0.120063 0.116747 0.034881 0.014230 -0.138897 -0.002347 0.002220 -0.009709 0.007518 0.002809 0.001588 -0.009115 0.003337 0.007567 0.001917 0.001821 -0.000276 -0.000036 -0.000032 -0.000002 0.000074 0.000154 -0.000303 -0.000067 -0.000061 0.000098 0.002086 0.001590 -0.000245 -0.000001 0.000018 0.000005 0.000057 -0.000133 -0.000074 0.001150 -0.000530 -0.000582 -0.000331 0.001215 -0.000505 -0.002490 0.001403 0.001482 0.001031 -0.003662 0.001903 -0.025417 0.013040 0.014371 0.006741 -0.027509 0.013485 -0.005609 -0.004034 -0.024805 -0.001071 0.000310 -0.000928 0.001173 0.000696 -0.000220 -0.000717 0.000462 0.002071 -0.000026 -0.000014 -0.000010 0.001219 0.001576 0.002138 -0.000275 -0.000206 -0.000350 -0.001062 -0.000757 -0.000357 0.000104 0.000021 0.000020 -0.000094 0.000225 -0.000211 -0.000846 0.004521 0.001861 0.003699 -0.002355 0.002351 -0.018559 0.012057 -0.011834 0.004646 -0.030594 -0.013813 -0.002078 0.015185 0.006471 0.011835 -0.007397 0.007231 0.002310 0.000942 -0.009365 0.001217 -0.000962 0.004221 -0.001740 -0.000959 -0.000415 0.001562 -0.000780 -0.001335 0.000006 0.000278 0.000161 0.000196 -0.000095 -0.000033 -0.002214 -0.005348 0.008380 0.002735 0.001614 -0.003793 -0.037495 -0.028468 0.003891 -0.000259 -0.000345 0.000180 -0.006821 0.014167 0.007382 -0.044497 0.021890 0.024674 0.011645 -0.040157 0.017952 0.065850 -0.037038 -0.038940 -0.029588 0.107969 -0.055687 0.456024 -0.233906 -0.258008 -0.120639 0.491927 -0.241220 0.101433 0.073098 0.450124 0.117905 -0.039210 0.105652 -0.115933 -0.073719 0.027411 0.079255 -0.050285 -0.222720 -0.000172 0.000010 0.000000 0.000252 0.000232 0.000359 -0.000043 -0.000049 -0.000069 -0.000749 -0.000486 -0.000115 -0.000000 -0.000004 0.000012 0.000123 -0.000268 0.000234 -0.000233 0.000994 0.000416 0.000678 -0.000462 0.000447 -0.003496 0.002260 -0.002201 0.000753 -0.004866 -0.002176 -0.001374 0.009934 0.004270 0.008149 -0.005083 0.005036 0.001881 0.000778 -0.007875 -0.001436 0.001118 -0.005058 0.002140 0.000938 0.000496 -0.002005 0.000866 0.001696 0.002838 0.000666 -0.000005 -0.000547 0.000257 0.000017 -0.002110 -0.003499 0.005372 -0.002003 0.000146 0.002424 -0.012697 -0.009600 0.000980 0.000489 0.000855 -0.000516 0.019586 -0.041215 -0.022113 0.031914 -0.016451 -0.019823 -0.005316 0.013184 -0.007374 0.046631 -0.025464 -0.026933 -0.019170 0.071372 -0.036913 0.153567 -0.078616 -0.086969 -0.040373 0.165329 -0.081038 0.035198 0.025449 0.155712 -0.338561 0.113232 -0.302780 0.338168 0.215475 -0.079841 -0.232470 0.147224 0.650699 0.000089 -0.000003 0.000050 -0.009398 -0.013936 -0.019886 0.003130 0.002480 0.004080 -0.039898 -0.023490 -0.001272 -0.000354 -0.000175 -0.000091 0.000623 -0.001633 0.001672 0.009262 -0.054264 -0.020899 -0.043717 0.026542 -0.025736 0.164197 -0.108418 0.105270 -0.043898 0.280527 0.127201 -0.068006 0.493246 0.213691 0.425748 -0.264913 0.265279 0.108709 0.045312 -0.461171 -0.009514 0.007389 -0.032026 0.013224 0.006970 0.003250 -0.010883 0.005624 0.009162 0.000551 -0.000020 -0.000180 -0.000030 0.000007 0.000007 0.000078 0.000192 -0.000242 -0.000032 -0.000031 0.000035 0.000345 0.000258 -0.000011 0.000035 -0.000019 0.000001 -0.000231 0.000474 0.000261 0.000417 -0.000218 -0.000227 -0.000142 0.000558 -0.000244 -0.001902 0.001065 0.001103 0.000923 -0.003447 0.001771 -0.004139 0.002116 0.002352 0.001079 -0.004404 0.002164 -0.000980 -0.000715 -0.004370 0.003860 -0.001298 0.003437 -0.003797 -0.002473 0.000874 0.002662 -0.001702 -0.007461 0.000046 0.000030 0.000013 0.000002 -0.000005 -0.000005 0.000105 0.000045 0.000127 -0.000010 -0.000009 0.000006 -0.000019 0.000005 -0.000004 0.000013 -0.000024 0.000025 0.000265 -0.001423 -0.000611 -0.001460 0.000911 -0.000949 0.000012 -0.000022 0.000008 -0.000023 0.000106 0.000043 -0.000021 0.000139 0.000062 0.000083 -0.000054 0.000055 0.000038 0.000018 -0.000177 -0.000098 0.000099 -0.000449 0.000125 0.000081 -0.000002 -0.000162 0.000072 0.000136 -0.000580 -0.000747 -0.000555 -0.000184 0.000000 -0.000066 -0.000865 0.012734 -0.008192 0.038663 0.018678 -0.050882 0.001998 -0.001005 0.001659 -0.001229 -0.001100 -0.000611 0.001413 -0.003762 0.000508 -0.605605 0.310459 0.360839 0.158750 -0.518958 0.252272 -0.022914 0.014609 0.013276 0.041610 -0.163395 0.085551 -0.020150 0.008202 0.010558 -0.002600 0.006541 -0.004134 -0.005904 -0.004816 -0.025073 -0.037980 0.013079 -0.033870 0.033043 0.022628 -0.007006 -0.011714 0.007443 0.034465 -0.000305 0.000034 0.000056 0.001320 0.012139 0.008118 0.039668 0.018637 0.049862 0.001455 -0.001313 -0.001623 -0.001280 -0.000948 0.000700 0.000882 -0.003075 -0.000433 0.106445 -0.561172 -0.239133 -0.562623 0.351325 -0.363246 -0.031571 0.022599 -0.020731 0.024164 -0.164949 -0.076699 -0.002288 0.009409 0.004898 -0.014822 0.007120 -0.008185 -0.005139 -0.002626 0.021172 -0.006765 0.005407 -0.025556 0.026297 0.014577 0.005649 -0.030212 0.014898 0.025547 0.000391 -0.000483 0.000808 -0.000000 0.000012 -0.000013 0.000021 -0.000066 0.000031 -0.000092 -0.000044 0.000122 -0.000009 0.000006 -0.000013 -0.000002 0.000009 0.000006 -0.000004 0.000006 -0.000016 0.001459 -0.000748 -0.000864 -0.000379 0.001220 -0.000586 -0.000079 0.000020 0.000048 -0.000197 0.000769 -0.000402 0.000076 -0.000031 -0.000042 0.000018 -0.000065 0.000036 0.000029 0.000027 0.000146 0.000127 -0.000059 0.000120 -0.000061 -0.000061 0.000041 0.000003 0.000005 0.000043 -0.000011 0.000008 -0.000000 -0.000052 0.000028 -0.000037 -0.000014 -0.000000 -0.000017 -0.000009 -0.000008 0.000011 0.000001 -0.000019 -0.000004 -0.000077 0.000027 -0.000067 -0.000016 0.000169 0.000066 0.000178 -0.000121 0.000125 0.000644 -0.000419 0.000416 -0.000033 0.000070 0.000023 -0.000012 0.000123 0.000057 0.000072 -0.000041 0.000044 0.000055 0.000018 -0.000223 0.000329 -0.000234 0.001082 0.000200 0.000105 -0.000030 0.000315 -0.000159 -0.000296 0.000256 -0.000200 0.000024 -0.000163 0.000050 0.000152 0.058953 -0.062660 -0.010117 -0.008106 0.017603 -0.005642 -0.015933 0.020810 0.002468 -0.000005 0.000008 -0.000157 -0.000265 -0.000104 -0.001631 0.047021 -0.020599 -0.026503 0.054767 -0.193005 0.094301 -0.598865 0.301714 0.362976 -0.107011 0.452816 -0.242530 0.161136 -0.079734 -0.093818 0.039467 -0.174619 0.089518 -0.009813 0.001603 -0.024540 0.007655 -0.002133 0.006615 0.000516 0.000524 -0.000613 -0.005121 0.002922 0.011926 0.000151 -0.000071 0.000140 -0.052167 0.068143 -0.012196 0.006636 -0.017595 -0.003940 0.014603 -0.023744 0.003467 -0.000025 0.000031 -0.000163 0.000414 -0.000276 -0.001935 -0.031279 0.184352 0.078636 -0.051570 0.028870 -0.031031 0.562682 -0.344616 0.370599 0.060914 -0.474704 -0.225295 -0.023263 0.194024 0.088069 -0.161335 0.097149 -0.102717 0.010162 -0.003640 -0.026208 0.004393 -0.003124 0.012210 0.002369 0.001065 0.000019 -0.011475 0.005017 0.009333 -0.000209 0.000284 0.000167 0.000008 -0.000010 -0.000000 -0.000026 0.000048 -0.000011 0.000025 -0.000031 -0.000002 0.000028 -0.000023 0.000005 -0.000006 0.000016 -0.000002 0.000025 -0.000021 0.000002 -0.000226 0.000118 0.000142 -0.000078 0.000227 -0.000118 0.000183 -0.000075 -0.000121 0.000132 -0.000487 0.000254 -0.000273 0.000132 0.000157 -0.000042 0.000177 -0.000088 -0.000026 -0.000025 -0.000131 -0.000273 0.000088 -0.000243 0.000127 0.000073 -0.000059 -0.000102 0.000041 0.000257 -0.000077 -0.000071 0.000359 -0.000873 0.001773 0.000335 -0.000636 0.003133 0.001111 0.001798 -0.002753 0.000038 -0.000089 -0.001131 0.001215 -0.010995 0.024808 0.082878 0.007134 -0.036150 -0.015274 0.002256 -0.000192 0.002102 0.006554 -0.004069 0.004520 0.003173 -0.018238 -0.009296 -0.002898 0.022076 0.010062 -0.018558 0.011054 -0.011757 0.000189 -0.000802 0.001112 -0.159678 0.129630 -0.517098 -0.271653 -0.137797 -0.048592 0.561707 -0.272325 -0.440784 -0.000193 0.000984 -0.000531 0.000051 -0.000058 0.000003 -0.000026 0.000033 0.000004 -0.000326 0.000438 -0.000041 0.000150 -0.000177 -0.000059 0.000106 -0.000006 -0.000014 -0.000142 0.000271 -0.001250 0.002630 -0.001295 -0.001639 0.001216 -0.004043 0.002025 0.000183 -0.000122 -0.000098 0.000086 -0.000287 0.000185 -0.001608 0.000793 0.000920 -0.000288 0.001286 -0.000666 0.000121 0.000016 0.000412 0.007921 -0.002712 0.006599 -0.003372 -0.002225 0.000582 -0.003033 0.002006 0.007959 0.000015 0.000059 0.000008 -0.000002 0.000020 0.000016 0.000023 0.000015 0.000017 0.000013 -0.000024 -0.000038 -0.000047 -0.000030 0.000024 -0.000185 0.000374 0.001262 0.000048 -0.000268 -0.000105 -0.000270 0.000171 -0.000167 -0.000014 0.000026 -0.000003 0.000053 -0.000283 -0.000141 -0.000042 0.000301 0.000133 -0.000047 0.000021 -0.000035 -0.000067 -0.000037 0.000324 -0.002444 0.001963 -0.007841 -0.004058 -0.001985 -0.000650 0.008702 -0.004190 -0.006802 -0.000574 -0.001218 -0.000143 0.000110 0.000063 0.000264 -0.000404 -0.000006 0.000552 0.005639 -0.009341 0.001565 -0.009273 0.011747 0.000006 -0.000033 0.000828 0.001142 0.009460 -0.016463 0.085150 -0.042454 0.020052 0.026427 -0.026700 0.090511 -0.044856 0.007556 -0.003199 -0.003865 -0.002333 0.004325 -0.003532 0.089826 -0.043643 -0.051804 0.022224 -0.098648 0.049895 -0.001705 0.002886 0.001666 -0.534829 0.185062 -0.444179 0.212246 0.136877 -0.033718 0.211053 -0.137199 -0.553722 0.000046 0.000005 0.000004 0.000014 -0.000014 0.000005 -0.000004 0.000006 0.000002 0.000062 -0.000095 0.000006 -0.000000 0.000014 0.000001 -0.000021 0.000033 0.000132 0.000013 -0.000088 -0.000034 0.000034 -0.000008 0.000017 -0.000164 0.000097 -0.000103 -0.000001 0.000068 0.000031 -0.000088 0.000755 0.000335 -0.000653 0.000387 -0.000409 0.000010 -0.000018 0.000005 -0.000260 0.000215 -0.000828 -0.000417 -0.000157 -0.000045 0.000915 -0.000414 -0.000700 -0.000920 -0.000185 -0.000167 -0.000170 0.000132 -0.000145 -0.011651 0.013552 0.001058 0.021781 -0.029371 0.001459 -0.050700 0.064837 0.002283 0.000641 -0.000850 -0.000156 -0.002511 0.002896 -0.016709 -0.188155 0.092133 0.112454 -0.073938 0.261031 -0.129661 0.115023 -0.054295 -0.066112 0.022375 -0.106455 0.053339 0.498778 -0.241648 -0.286738 0.119816 -0.541963 0.272938 -0.014135 0.011308 -0.013460 0.105529 -0.036133 0.087451 -0.034472 -0.022099 0.005158 -0.042214 0.027507 0.110787 -0.000051 0.000091 0.000088 -0.013033 0.018473 -0.002181 0.014768 -0.024761 -0.000100 -0.045764 0.072613 -0.006692 0.000391 -0.000577 0.000007 -0.000703 0.000776 0.003181 -0.035813 0.212624 0.091695 -0.141975 0.084702 -0.090453 0.139051 -0.081309 0.087669 0.014827 -0.137576 -0.061865 0.067008 -0.583369 -0.260395 0.496069 -0.293251 0.311107 -0.017310 0.011796 0.029162 -0.006735 0.005570 -0.022175 -0.006501 -0.003273 -0.001107 0.021083 -0.010004 -0.016320 -0.000879 -0.000137 0.000265 0.000022 -0.000000 -0.000003 0.000013 -0.000010 -0.000005 0.000105 -0.000142 0.000005 -0.000019 0.000028 0.000013 -0.000001 0.000010 -0.000001 0.000010 0.000006 -0.000060 -0.000905 0.000457 0.000557 -0.000359 0.001224 -0.000623 -0.000144 0.000083 0.000091 -0.000009 0.000039 -0.000029 0.000219 -0.000110 -0.000127 0.000047 -0.000209 0.000112 -0.000041 -0.000014 -0.000138 0.000281 -0.000079 0.000216 -0.000205 -0.000100 0.000018 -0.000182 0.000119 0.000482 -0.000078 -0.000049 -0.000011 0.000029 -0.000034 0.000008 0.000212 -0.000362 0.000004 -0.000022 0.000050 -0.000017 0.000002 0.000022 -0.000005 0.000304 -0.000094 -0.000251 -0.000567 0.003045 0.001354 -0.001994 0.001221 -0.001335 -0.000330 0.000231 -0.000221 -0.000018 0.000171 0.000097 0.000048 -0.000400 -0.000190 0.000281 -0.000174 0.000179 -0.000075 -0.000008 0.000224 0.000275 -0.000216 0.000669 -0.000479 -0.000333 -0.000192 -0.003238 0.001528 0.002582 0.001882 0.001027 0.000536 0.000621 -0.000379 0.000146 -0.018739 0.022236 0.001578 -0.050612 0.067437 -0.002724 -0.019167 0.024559 -0.001403 -0.001459 0.001467 -0.000079 0.002671 0.000077 0.004409 0.437094 -0.218680 -0.270707 0.172670 -0.592588 0.302331 0.177860 -0.090644 -0.109333 0.042364 -0.169940 0.092233 0.184565 -0.086855 -0.104874 0.045302 -0.214645 0.106020 0.000551 0.006284 0.015203 -0.032138 0.009391 -0.026209 -0.011006 -0.008051 0.003027 0.012375 -0.008137 -0.031649 -0.000030 -0.000012 0.000004 -0.000002 0.000006 0.000000 -0.000005 0.000001 -0.000003 -0.000008 0.000026 0.000207 0.000011 -0.000000 -0.000003 0.000010 -0.000014 -0.000036 -0.000000 0.000017 0.000001 0.000054 -0.000034 0.000032 0.000020 -0.000023 0.000011 -0.000003 -0.000046 -0.000025 0.000105 -0.000818 -0.000320 -0.000480 0.000299 -0.000260 0.000470 0.000205 -0.001866 0.000080 -0.000044 0.000193 0.000139 0.000052 -0.000019 -0.000331 0.000143 0.000239 0.000507 0.000303 -0.000157 -0.000080 -0.000013 -0.000008 0.003323 0.001230 -0.004877 0.001603 -0.001119 0.000232 -0.000512 0.002305 -0.092377 0.000061 -0.000045 0.000027 -0.000259 -0.000001 -0.000414 -0.013273 0.007903 0.009568 -0.001468 0.008786 -0.003401 -0.048452 0.023454 0.028424 0.008298 -0.038381 0.019378 -0.273671 0.137886 0.136435 0.074272 -0.314276 0.136670 0.202499 0.146606 0.829071 0.003112 -0.000974 0.002455 0.000485 0.000242 -0.000234 -0.000929 0.000638 0.002611 0.000039 0.000035 -0.000005 -0.002563 -0.002208 -0.004696 0.000102 -0.001346 0.000310 0.001420 -0.008336 -0.092106 0.000052 0.000010 0.000036 0.000059 -0.000014 -0.000103 -0.003284 0.012482 0.006624 -0.003446 0.000892 -0.000928 0.037326 -0.021855 0.023582 -0.005381 0.048245 0.021880 -0.044394 0.344062 0.132251 0.243657 -0.150566 0.133223 -0.213401 -0.092275 0.833208 0.000097 -0.000125 0.000621 0.000275 0.000220 -0.000036 -0.000684 0.000270 0.000388 -0.000423 -0.000266 -0.000183 0.000013 0.000006 0.000004 0.000018 -0.000003 -0.000020 0.000014 -0.000009 -0.000002 0.000007 -0.000005 -0.000203 -0.000006 -0.000002 -0.000002 0.000001 0.000009 -0.000030 -0.000132 0.000072 0.000084 -0.000014 0.000058 -0.000031 -0.000240 0.000126 0.000139 0.000027 -0.000098 0.000045 -0.000693 0.000346 0.000350 0.000148 -0.000620 0.000262 0.000452 0.000323 0.001821 0.000203 -0.000058 0.000151 -0.000142 -0.000083 -0.000002 -0.000086 0.000045 0.000198 -0.000522 0.000386 0.000140 0.015143 -0.021779 0.002474 0.046305 -0.075504 0.000840 0.011572 -0.018259 0.002863 0.001303 -0.001598 -0.000067 -0.001680 0.000190 0.002486 -0.112978 0.636778 0.284876 -0.444448 0.271745 -0.296589 -0.155086 0.096332 -0.104097 -0.022796 0.159016 0.077148 -0.014512 0.144935 0.063675 -0.131563 0.075462 -0.080402 0.006319 -0.000258 -0.017936 -0.006437 0.005572 -0.020873 0.008052 0.004892 0.001994 0.018167 -0.006774 -0.013337 -0.002596 -0.000699 0.001065 0.000035 0.000028 -0.000014 0.000087 -0.000108 -0.000004 0.000183 -0.000244 0.000017 0.000085 -0.000119 0.000000 0.000013 -0.000017 0.000000 -0.000100 0.000004 -0.000037 -0.001586 0.000791 0.000979 -0.000617 0.002184 -0.001116 -0.000785 0.000384 0.000492 -0.000235 0.000891 -0.000479 -0.000839 0.000396 0.000476 -0.000217 0.001046 -0.000521 0.000034 -0.000009 0.000051 0.000748 -0.000213 0.000626 0.000297 0.000266 -0.000087 0.000015 0.000010 -0.000087 -0.000140 0.000152 0.000004 -0.000026 0.000024 -0.000018 -0.000041 0.000071 0.000006 -0.000010 0.000027 -0.000005 -0.000036 -0.000074 0.000003 -0.000577 -0.000086 -0.000032 0.000082 -0.000454 -0.000252 0.000311 -0.000251 0.000220 0.000267 -0.000143 0.000199 0.000030 -0.000147 -0.000060 0.000018 -0.000224 -0.000104 0.000136 -0.000081 0.000078 -0.000042 -0.000019 0.000119 0.000224 -0.000259 0.001100 0.004511 0.002377 0.001061 0.002177 -0.001089 -0.001808 0.002530 -0.003127 0.000024 0.001088 -0.000322 -0.000183 -0.000543 0.000516 0.000187 -0.001364 0.002054 0.000145 0.000001 0.000099 0.000071 -0.002304 0.001395 0.000273 -0.090331 -0.026473 0.003422 0.015474 -0.005875 -0.009073 0.004304 -0.014519 0.006626 0.005190 -0.002959 -0.003670 0.001253 -0.004354 0.002875 0.000623 -0.000146 -0.000199 0.000047 -0.000920 0.000393 -0.000467 -0.000416 -0.001468 0.326914 -0.119436 0.295412 0.710115 0.465656 -0.161909 0.045996 -0.043426 -0.175001 0.000767 -0.000410 0.000244 -0.000341 0.000371 -0.000163 -0.000689 0.001428 -0.000219 0.000043 -0.000007 0.000015 -0.001656 0.001549 -0.000342 -0.092681 -0.017313 -0.003918 0.001743 -0.008618 -0.003317 0.009480 -0.004143 0.005831 0.003297 -0.002283 0.002672 0.000628 -0.003307 -0.001997 -0.000121 -0.000131 0.000017 -0.000026 0.000122 -0.000140 -0.000170 -0.000179 0.000301 0.026290 -0.035182 0.149647 0.756506 0.391270 0.175031 0.327469 -0.163419 -0.276507 0.003638 -0.003180 -0.000016 -0.000226 0.000163 -0.000019 -0.000082 0.000089 0.000012 -0.000105 0.000170 -0.000010 -0.000035 0.000041 -0.000010 -0.000151 -0.000044 -0.000004 0.000591 0.000152 -0.000021 0.000971 -0.000538 -0.000582 0.000337 -0.001349 0.000771 0.000780 -0.000383 -0.000565 0.000188 -0.000646 0.000328 0.000330 -0.000143 -0.000179 0.000067 -0.000411 0.000204 0.000028 0.000030 0.000104 -0.002044 0.000641 -0.001860 -0.004420 -0.002872 0.001014 -0.000306 0.000257 0.001189</matrix>
                  </module>
               </property>
               <property dictRef="cc:irspectrum">
                  <module cmlx:templateRef="irspectrum">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="93">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="93">19.31 23.29 29.52 56.41 64.36 74.96 88.32 102.56 119.50 125.47 136.55 185.69 219.44 235.57 247.47 248.40 324.84 345.52 401.40 440.66 544.87 589.11 599.99 629.69 760.79 762.51 842.06 848.01 888.86 889.41 906.47 922.30 990.14 994.45 1021.91 1025.70 1052.19 1058.23 1115.00 1123.20 1130.78 1140.40 1243.18 1244.48 1273.29 1283.23 1293.58 1319.60 1328.64 1336.41 1345.16 1350.76 1377.65 1381.93 1406.72 1411.65 1432.22 1432.85 1452.01 1458.79 1480.48 1483.81 1495.47 1497.41 1500.65 1501.28 1504.31 1504.78 1514.84 1515.27 1661.64 1713.58 1797.66 3064.34 3065.27 3068.05 3068.20 3069.01 3070.53 3086.91 3091.47 3106.01 3111.58 3140.61 3141.90 3143.67 3147.31 3152.33 3155.13 3157.98 3158.30 3188.75 3197.42</array>
                     <array dataType="xsd:double" dictRef="o:t2" size="93">0.008453 0.000535 0.002331 0.004185 0.003185 0.000104 0.007452 0.000261 0.002876 0.000182 0.005342 0.001733 0.001093 0.036750 0.000011 0.004126 0.005084 0.015750 0.012467 0.019118 0.004479 0.012570 0.000130 0.037313 0.000248 0.000589 0.009302 0.001462 0.000176 0.002676 0.011434 0.000552 0.000301 0.000706 0.000211 0.004789 0.002244 0.001095 0.018641 0.003260 0.007549 0.003089 0.003656 0.019892 0.089591 0.009842 0.116639 0.022926 0.006307 0.004261 0.000651 0.002234 0.002025 0.001664 0.003921 0.001700 0.000393 0.000338 0.000847 0.000108 0.000325 0.001576 0.000404 0.000210 0.000230 0.000125 0.000543 0.000515 0.000479 0.000776 0.017623 0.002033 0.012310 0.000202 0.000255 0.000126 0.000339 0.000103 0.000362 0.000095 0.000048 0.000090 0.000069 0.000035 0.000010 0.000249 0.000295 0.000298 0.000236 0.000186 0.000139 0.000071 0.000039</array>
                     <matrix cols="3"
                             dataType="xsd:double"
                             dictRef="cc:displacement"
                             rows="93">-0.007789 -0.007799 -0.091277 -0.008492 -0.002053 -0.021415 0.047651 0.003109 -0.007103 -0.063690 0.003155 0.010874 -0.001029 -0.003607 0.056314 0.005961 -0.006265 -0.005424 0.085471 -0.011159 0.004756 -0.010750 0.006133 0.010396 0.051795 0.008869 -0.010716 0.013453 -0.000712 -0.000935 -0.071174 -0.008887 -0.014057 0.040454 0.009397 -0.002811 -0.031019 -0.009147 0.006885 0.189155 0.031097 0.001692 -0.001878 -0.002718 0.000615 0.063368 0.010350 0.001777 -0.070322 -0.011332 0.003140 -0.123946 -0.018955 0.005325 0.110698 0.014516 -0.001340 0.137176 0.017181 -0.002274 -0.062923 0.022753 -0.001495 -0.109307 -0.024743 0.003152 0.009363 -0.006468 -0.000854 -0.188964 -0.039957 -0.002942 -0.003950 -0.015246 -0.000650 0.021612 -0.010948 0.001282 -0.096076 -0.008423 -0.000340 -0.036763 -0.010471 0.000786 0.013174 -0.000226 0.001491 0.051614 0.000860 -0.003342 0.104706 0.021539 -0.002667 0.023436 0.001493 -0.000542 -0.003588 -0.015310 -0.007354 -0.022838 0.009509 -0.009704 0.000469 0.000508 0.014513 0.067863 0.012625 -0.004920 0.044712 0.010138 -0.011912 -0.029775 -0.007151 -0.012539 -0.130673 -0.036904 0.014260 0.043859 0.014150 0.033710 -0.086716 -0.005214 -0.001553 0.055357 0.002410 0.004334 -0.057836 0.017617 0.000874 -0.139481 -0.020842 0.001568 -0.297837 -0.027062 0.012344 -0.096595 -0.017555 0.014240 -0.339976 -0.030348 -0.011593 0.145446 0.041241 -0.008375 0.075910 0.015959 0.017030 0.064565 0.008680 -0.004132 -0.009058 -0.010203 -0.021552 -0.006519 -0.002545 -0.046749 0.040483 0.001540 0.019586 0.039257 -0.001524 -0.010984 0.022875 -0.056864 0.012824 -0.003724 0.033567 0.023643 0.016438 0.011066 0.000172 -0.016504 -0.008128 0.000008 -0.027590 -0.001304 0.009150 -0.000417 0.000428 0.010366 -0.003827 0.005222 -0.016813 0.034386 -0.019835 -0.000223 -0.018156 -0.008588 -0.000471 0.012065 0.001272 -0.007922 -0.010424 -0.011022 -0.000149 -0.009288 -0.001538 -0.005994 -0.013029 0.019176 -0.002352 0.013614 -0.018100 -0.001297 0.008263 0.020147 -0.002091 -0.005722 0.000893 0.027244 -0.122563 -0.050880 0.003600 0.008136 0.044078 0.004863 0.079605 0.077075 -0.005659 -0.004502 -0.008613 0.010384 -0.002464 -0.014020 0.007209 0.002797 0.006885 0.008426 -0.012274 -0.013565 0.002194 -0.007521 0.003577 0.005765 -0.014615 -0.010615 -0.005940 0.002757 0.002280 -0.009089 0.001320 0.001103 0.006706 0.006268 -0.006574 -0.002731 -0.004573 0.006629 -0.002023 -0.001394 0.001773 -0.005466 -0.001461 -0.001548 -0.002441 -0.009582 0.012499 0.001112 -0.009261 0.014363 -0.001569 -0.010137 0.013980 0.000390 0.000795 0.000696 -0.015310 -0.001074 -0.002192 -0.013428 0.005800 -0.010137 0.001448 -0.004626 -0.006967 -0.000759 0.003681 -0.004838 0.001352</matrix>
                  </module>
               </property>
            </propertyList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="-1.013179"
                        y3="-0.812569"
                        z3="-0.483005"/>
                  <atom elementType="C"
                        id="a2"
                        x3="-3.746979"
                        y3="-1.186126"
                        z3="1.031234"/>
                  <atom elementType="C"
                        id="a3"
                        x3="-3.34221"
                        y3="-1.017979"
                        z3="-0.452834"/>
                  <atom elementType="C"
                        id="a4"
                        x3="-5.030748"
                        y3="-1.993402"
                        z3="1.159528"/>
                  <atom elementType="C"
                        id="a5"
                        x3="-2.105393"
                        y3="-0.210466"
                        z3="-0.535479"/>
                  <atom elementType="C"
                        id="a6"
                        x3="-2.179233"
                        y3="1.264531"
                        z3="-0.649708"/>
                  <atom elementType="H"
                        id="a7"
                        x3="-3.160572"
                        y3="-1.997603"
                        z3="-0.894481"/>
                  <atom elementType="H"
                        id="a8"
                        x3="-4.145925"
                        y3="-0.517159"
                        z3="-0.994068"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-2.933405"
                        y3="-1.682277"
                        z3="1.5636"/>
                  <atom elementType="H"
                        id="a10"
                        x3="-3.878491"
                        y3="-0.203623"
                        z3="1.490811"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-4.915432"
                        y3="-2.989473"
                        z3="0.731145"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-5.861432"
                        y3="-1.500974"
                        z3="0.652853"/>
                  <atom elementType="H"
                        id="a13"
                        x3="-5.301465"
                        y3="-2.109964"
                        z3="2.207868"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.477647"
                        y3="1.493058"
                        z3="-1.677836"/>
                  <atom elementType="H"
                        id="a15"
                        x3="-1.234416"
                        y3="1.756203"
                        z3="-0.435478"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-2.972229"
                        y3="1.647303"
                        z3="-0.007491"/>
                  <atom elementType="H"
                        id="a17"
                        x3="-0.088136"
                        y3="-0.203666"
                        z3="-0.494028"/>
                  <atom elementType="O"
                        id="a18"
                        x3="0.997286"
                        y3="0.544641"
                        z3="-0.502894"/>
                  <atom elementType="C"
                        id="a19"
                        x3="3.687824"
                        y3="1.281638"
                        z3="0.984417"/>
                  <atom elementType="C"
                        id="a20"
                        x3="3.300407"
                        y3="1.014518"
                        z3="-0.484932"/>
                  <atom elementType="C"
                        id="a21"
                        x3="4.883429"
                        y3="2.218362"
                        z3="1.08193"/>
                  <atom elementType="C"
                        id="a22"
                        x3="2.14164"
                        y3="0.081388"
                        z3="-0.539294"/>
                  <atom elementType="C"
                        id="a23"
                        x3="2.394567"
                        y3="-1.384545"
                        z3="-0.609312"/>
                  <atom elementType="H"
                        id="a24"
                        x3="4.151203"
                        y3="0.580942"
                        z3="-1.013028"/>
                  <atom elementType="H"
                        id="a25"
                        x3="3.020765"
                        y3="1.952042"
                        z3="-0.965619"/>
                  <atom elementType="H"
                        id="a26"
                        x3="2.828326"
                        y3="1.712525"
                        z3="1.501906"/>
                  <atom elementType="H"
                        id="a27"
                        x3="3.917414"
                        y3="0.336483"
                        z3="1.48295"/>
                  <atom elementType="H"
                        id="a28"
                        x3="5.760662"
                        y3="1.79294"
                        z3="0.592967"/>
                  <atom elementType="H"
                        id="a29"
                        x3="4.670399"
                        y3="3.180131"
                        z3="0.613876"/>
                  <atom elementType="H"
                        id="a30"
                        x3="5.14025"
                        y3="2.403944"
                        z3="2.123961"/>
                  <atom elementType="H"
                        id="a31"
                        x3="3.194134"
                        y3="-1.660482"
                        z3="0.078396"/>
                  <atom elementType="H"
                        id="a32"
                        x3="1.503978"
                        y3="-1.974632"
                        z3="-0.409467"/>
                  <atom elementType="H"
                        id="a33"
                        x3="2.758665"
                        y3="-1.612334"
                        z3="-1.614958"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a16" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a20 a25" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
               </bondArray>
               <formula concise="C10H21O2">
                  <atomArray count="10 21 2" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">152.1058</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C10H21O2/c1-5-7-9(3)11-13-12-10(4)8-6-2/h5-8H2,1-4H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:4,21,6,23,2,19,3,20,5,22,1,18,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/CRV:9.3,10.3,13.2/rA:33nOCCCC3CHHHHHHHHHHH2OCCCC3CHHHHHHHHHH/rB:;s2;s2;s1s3;s5;s3;s3;s2;s2;s4;s4;s4;s6;s6;s6;s1;s17;;s19;s19;s18s20;s22;s20;s20;s19;s19;s21;s21;s21;s23;s23;s23;/rC:-1.0132,-.8126,-.483;-3.747,-1.1861,1.0312;-3.3422,-1.018,-.4528;-5.0307,-1.9934,1.1595;-2.1054,-.2105,-.5355;-2.1792,1.2645,-.6497;-3.1606,-1.9976,-.8945;-4.1459,-.5172,-.9941;-2.9334,-1.6823,1.5636;-3.8785,-.2036,1.4908;-4.9154,-2.9895,.7311;-5.8614,-1.501,.6529;-5.3015,-2.11,2.2079;-2.4776,1.4931,-1.6778;-1.2344,1.7562,-.4355;-2.9722,1.6473,-.0075;-.0881,-.2037,-.494;.9973,.5446,-.5029;3.6878,1.2816,.9844;3.3004,1.0145,-.4849;4.8834,2.2184,1.0819;2.1416,.0814,-.5393;2.3946,-1.3845,-.6093;4.1512,.5809,-1.013;3.0208,1.952,-.9656;2.8283,1.7125,1.5019;3.9174,.3365,1.4829;5.7607,1.7929,.593;4.6704,3.1801,.6139;5.1402,2.4039,2.124;3.1941,-1.6605,.0784;1.504,-1.9746,-.4095;2.7587,-1.6123,-1.615;</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">-544.00633545572259</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">709.21646035116021</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-1253.22280401331568</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-2128.89245285822517</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">875.66964884490949</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-1085.42365857329969</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">541.41732311757698</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00478191632886</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">48.000003189406</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">48.000003189406</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">96.000006378812</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-53.959225424406</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010763146</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010809550</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010805406</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010796208</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010795595</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010788886</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010785589</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010781601</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010779683</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010779960</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010781718</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010783248</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010784296</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010785043</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010786061</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010787388</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010805212</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010798743</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010805759</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010835867</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010866912</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010846572</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010843647</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010855141</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010854656</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010854766</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010854470</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010854478</scalar>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010854022</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="59">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</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="59">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</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="59"
                            units="nonsi:electronvolt">-529.1999 -528.0913 -287.6099 -286.8198 -284.0533 -283.8527 -283.5985 -283.4437 -283.3633 -283.0612 -282.3835 -282.1148 -37.7821 -36.5043 -29.5038 -28.8528 -27.8834 -27.3993 -26.2446 -25.6238 -24.3327 -22.8682 -22.6034 -21.9258 -21.0917 -20.4121 -20.0285 -19.7988 -19.6404 -19.1253 -19.0457 -18.5243 -17.8446 -17.6408 -17.4138 -17.2813 -17.1527 -16.7863 -16.7335 -16.5988 -16.2555 -15.8233 -15.5321 -15.2692 -15.1295 -15.0377 -14.7996 -14.2263 -3.5846 -2.8100 -0.4563 0.0232 0.5099 0.7414 1.0321 1.1771 1.1782 1.3569 1.5962</array>
                  </list>
               </module>
               <module cmlx:templateRef="mullikenpopulation" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="atomiccharges">
                     <scalar dataType="xsd:double" dictRef="x:chargesum">1.0000000</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="33">-0.243808 -0.121540 -0.093374 -0.241483 0.289127 -0.184031 0.114492 0.105532 0.097510 0.085099 0.088071 0.085672 0.104920 0.126730 0.113043 0.119135 0.290953 -0.343626 -0.118495 -0.096522 -0.242988 0.277901 -0.191616 0.099131 0.106366 0.089705 0.079586 0.084400 0.085402 0.102063 0.116585 0.094071 0.121988</array>
                  </module>
               </module>
               <module cmlx:templateRef="loewdin" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                  <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="33">0.430655 -0.015333 0.001807 0.019040 -0.102516 0.056441 0.046463 0.045115 0.026132 0.022105 0.018666 0.017790 0.022940 0.057270 0.031125 0.046673 -0.191825 0.294323 -0.021809 -0.005760 0.015618 -0.159966 0.044977 0.040585 0.041815 0.023982 0.020717 0.016812 0.017215 0.020774 0.042410 0.025998 0.049759</array>
               </module>
               <module cmlx:templateRef="mayer" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="mayercharges">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="33">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="33">O C C C C C H H H H H H H H H H H O C C C C C H H H H H H H H H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="33">8.2438 6.1215 6.0934 6.2415 5.7109 6.1840 0.8855 0.8945 0.9025 0.9149 0.9119 0.9143 0.8951 0.8733 0.8870 0.8809 0.7090 8.3436 6.1185 6.0965 6.2430 5.7221 6.1916 0.9009 0.8936 0.9103 0.9204 0.9156 0.9146 0.8979 0.8834 0.9059 0.8780</array>
                     <array dataType="xsd:double" dictRef="o:za" size="33">8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="33">-0.2438 -0.1215 -0.0934 -0.2415 0.2891 -0.1840 0.1145 0.1055 0.0975 0.0851 0.0881 0.0857 0.1049 0.1267 0.1130 0.1191 0.2910 -0.3436 -0.1185 -0.0965 -0.2430 0.2779 -0.1916 0.0991 0.1064 0.0897 0.0796 0.0844 0.0854 0.1021 0.1166 0.0941 0.1220</array>
                     <array dataType="xsd:double" dictRef="o:va" size="33">2.3105 3.8738 3.8331 3.9560 3.8179 3.9133 1.0213 1.0137 1.0082 1.0087 1.0034 1.0033 1.0055 0.9996 1.0252 1.0061 1.0282 2.2067 3.8793 3.8421 3.9577 3.8629 3.9168 1.0141 1.0228 1.0093 1.0088 1.0034 1.0032 1.0058 1.0061 1.0219 1.0005</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="33">2.3105 3.8738 3.8331 3.9560 3.8179 3.9133 1.0213 1.0137 1.0082 1.0087 1.0034 1.0033 1.0055 0.9996 1.0252 1.0061 1.0282 2.2067 3.8793 3.8421 3.9577 3.8629 3.9168 1.0141 1.0228 1.0093 1.0088 1.0034 1.0032 1.0058 1.0061 1.0219 1.0005</array>
                     <array dataType="xsd:double" dictRef="o:fa" size="33">-0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 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="32">1.6460 0.6139 0.8783 0.9484 0.9941 0.9948 0.9763 0.9821 0.9990 0.9919 0.9921 0.9909 1.0215 0.9350 0.9814 0.9661 0.3884 1.7529 0.8924 0.9500 0.9955 0.9943 0.9643 1.0017 0.9838 0.9926 0.9926 0.9925 1.0043 0.9682 0.9889 0.9461</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="32">0 4 0 16 1 2 1 3 1 8 1 9 2 4 2 6 2 7 3 10 3 11 3 12 4 5 5 13 5 14 5 15 16 17 17 21 18 19 18 20 18 25 18 26 19 21 19 23 19 24 20 27 20 28 20 29 21 22 22 30 22 31 22 32</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dispersion" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispersion" units="nonsi:hartree">-0.010854417</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-544.019504388196</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">0.004971510 -0.503974603 -0.499003093 0.723406865 -0.800702938 -0.077296073 4.166781690 -4.699134363 -0.532352673</array>
                  <scalar dataType="xsd:string" dictRef="o:dipolemethod">SCF</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">0.733742556</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">1.865025362</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">173.28</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-544.01950439</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.29673902</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.01426414</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">-543.70566868</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01709668</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.29673902</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.31383571</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-543.70566868</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-543.70472447</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">0.02690404</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rotat" units="nonsi:hartree">0.01534061</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:transl" units="nonsi:hartree">0.01964979</scalar>
                  <scalar dataType="xsd:double" dictRef="o:total" units="nonsi:hartree">0.06189444</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-543.70472447</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.06189444</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-543.76661891</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.25288548</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
