<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:o="http://www.iochem-bd.org/dictionary/orca/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="orca.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Orca</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.0">5.0.2</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string" id="copy.1">RELEASE</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <module cmlx:templateRef="basis">
                  <list cmlx:templateRef="group">
                     <array dataType="xsd:integer" dictRef="o:group" size="4">1 2 3 4</array>
                     <array dataType="xsd:string" dictRef="o:primitive" size="4">11s6p2d1f 5s2p1d 11s6p2d1f 11s6p2d1f</array>
                     <array dataType="xsd:string" dictRef="o:contraction" size="4">5s3p2d1f 3s2p1d 5s3p2d1f 5s3p2d1f</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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                     <array dataType="xsd:integer" dictRef="o:group" size="33">1 1 1 1 1 1 2 1 2 2 1 1 2 2 3 2 2 1 2 2 1 2 2 2 4 2 2 4 2 2 4 2 2</array>
                  </list>
               </module>
            </parameterList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="3.107956"
                        y3="-1.025983"
                        z3="0.000005"/>
                  <atom elementType="C"
                        id="a2"
                        x3="1.822374"
                        y3="-1.500082"
                        z3="-0.000002"/>
                  <atom elementType="C"
                        id="a3"
                        x3="0.765762"
                        y3="-0.574856"
                        z3="0.000002"/>
                  <atom elementType="C"
                        id="a4"
                        x3="1.009109"
                        y3="0.811372"
                        z3="0.000013"/>
                  <atom elementType="C"
                        id="a5"
                        x3="2.351678"
                        y3="1.264362"
                        z3="0.00002"/>
                  <atom elementType="C"
                        id="a6"
                        x3="3.377366"
                        y3="0.36206"
                        z3="0.000016"/>
                  <atom elementType="H"
                        id="a7"
                        x3="1.618864"
                        y3="-2.564843"
                        z3="-0.000011"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-0.105799"
                        y3="1.677291"
                        z3="0.000016"/>
                  <atom elementType="H"
                        id="a9"
                        x3="2.545498"
                        y3="2.33027"
                        z3="0.000029"/>
                  <atom elementType="H"
                        id="a10"
                        x3="4.404424"
                        y3="0.70385"
                        z3="0.000022"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-1.38945"
                        y3="1.188917"
                        z3="0.000008"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-1.607488"
                        y3="-0.192599"
                        z3="-0.000003"/>
                  <atom elementType="H"
                        id="a13"
                        x3="0.063944"
                        y3="2.748504"
                        z3="0.000024"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.238746"
                        y3="1.855169"
                        z3="0.00001"/>
                  <atom elementType="N"
                        id="a15"
                        x3="-0.542718"
                        y3="-0.996546"
                        z3="-0.000006"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-0.706201"
                        y3="-1.995847"
                        z3="-0.000014"/>
                  <atom elementType="H"
                        id="a17"
                        x3="3.933832"
                        y3="-1.726732"
                        z3="0.000002"/>
                  <atom elementType="C"
                        id="a18"
                        x3="-2.958546"
                        y3="-0.851711"
                        z3="-0.000011"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-3.004747"
                        y3="-1.5072"
                        z3="-0.876255"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-3.004763"
                        y3="-1.507185"
                        z3="0.876244"/>
                  <atom elementType="C"
                        id="a21"
                        x3="-4.14504"
                        y3="0.104872"
                        z3="-0.000029"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-5.07147"
                        y3="-0.468061"
                        z3="-0.000038"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-4.148436"
                        y3="0.739864"
                        z3="0.887279"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-4.148414"
                        y3="0.739857"
                        z3="-0.887343"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-0.719083"
                        y3="-3.611966"
                        z3="0.005083"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-0.865784"
                        y3="-4.064964"
                        z3="0.838673"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-0.901252"
                        y3="-4.211786"
                        z3="-0.721987"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-1.216739"
                        y3="-4.859863"
                        z3="-2.29007"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-0.52266"
                        y3="-5.363236"
                        z3="-2.721892"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.993208"
                        y3="-4.835516"
                        z3="-2.854076"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-0.928625"
                        y3="-5.016059"
                        z3="2.629733"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-0.130612"
                        y3="-5.445336"
                        z3="2.946746"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-1.696326"
                        y3="-5.431449"
                        z3="3.029341"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
               </bondArray>
               <formula concise="C11H18NO3">
                  <atomArray count="11 18 1 3" elementType="C H N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">194.1226</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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-V</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</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">0.167000</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>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</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">0.833000</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">0.300000</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">933</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">2-ethylquinoline_H2O_3_ACN_0_a_OptFreq</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">114</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">717</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">982.1407350825 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">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">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-12 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-14 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-09 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-06 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.665e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.107 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.198 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.309 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="scfsettings" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="section" name="Hamiltonian">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Method</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">DFT(GTOs)</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Exchange</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Correlation</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">WB97X-V</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">0.167000</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>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Density functional embedding theory</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">OFF</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">0.833000</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">0.300000</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">933</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">2-ethylquinoline_H2O_3_ACN_0_a_OptFreq</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">114</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Dim</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">717</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ENuc</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">979.0388406443 Eh</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Convergence Acceleration">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDIIS</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxIt</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">12</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISStart</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.200000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxEq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">5</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISBfac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.050</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DIISMaxC</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVTRAH</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">auto</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start mean grad. ratio tolernc.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.125000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start start iteration</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Auto Start num. interpolation iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">10</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">16</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">iterations</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Maxiter - #DIIS iter</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of Davidson start vectors</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold I  (grad. norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Converg. threshold II (energy diff.)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-09</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Micro threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.100</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum threshold for Micro iter.</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">NR start threshold (gradient norm)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.001</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Initial trust radius</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.400</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Minimum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum AH scaling param. (alpha)</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1000.000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Orbital update algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Taylor</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">David. guess</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Maximum white noise</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Quad. conv. algorithm</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">NR</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVSOSCF</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">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">CNVShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">LevelShift</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.2500</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">ShiftErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0010</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVZerner</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVDamp</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">on</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampFac</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.7000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMax</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.9800</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampMin</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.0000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DampErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.1000</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">CNVRico</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">off</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="SCF Procedure">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">MaxIter</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">125</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">SCFMode</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">Direct</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Integral package</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">SHARK and LIBINT hybrid scheme</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">DirectResetFreq</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">20</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Thresh</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-12 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TCut</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-14 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-09 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-06 Eh</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolG</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolX</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">2.000e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">TolErr</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="section" name="Diagonalization of the overlap matrix">
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Smallest eigenvalue</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">6.785e-06</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for diagonalization</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.094 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Threshold for overlap eigenvalues</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">1.000e-08</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Number of eigenvalues below threshold</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Time for construction of square roots</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.056 sec</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:string" dictRef="cc:parameter">Total time needed</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:value">0.152 sec</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="input" id="initialization">
                  <module cmlx:templateRef="job">
                     <molecule id="initial">
                        <atomArray>
                           <atom elementType="C"
                                 id="a1"
                                 x3="3.10795563"
                                 y3="-1.02598281"
                                 z3="0.00000494">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="1.8223736"
                                 y3="-1.50008193"
                                 z3="-0.00000232">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="0.76576248"
                                 y3="-0.57485623"
                                 z3="0.00000167">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="1.00910899"
                                 y3="0.81137231"
                                 z3="0.00001289">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="2.35167791"
                                 y3="1.26436204"
                                 z3="0.00002024">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="3.37736613"
                                 y3="0.36206027"
                                 z3="0.00001634">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="1.61886446"
                                 y3="-2.56484269"
                                 z3="-0.00001103">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a8"
                                 x3="-0.1057985"
                                 y3="1.67729108"
                                 z3="0.00001583">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="2.54549798"
                                 y3="2.3302704"
                                 z3="0.00002893">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="4.40442438"
                                 y3="0.70385033"
                                 z3="0.00002186">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="-1.38945019"
                                 y3="1.18891683"
                                 z3="0.00000805">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="-1.60748777"
                                 y3="-0.19259874"
                                 z3="-0.00000289">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a13"
                                 x3="0.06394392"
                                 y3="2.74850405"
                                 z3="0.00002423">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="-2.23874588"
                                 y3="1.85516868"
                                 z3="0.00001004">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="N"
                                 id="a15"
                                 x3="-0.54271849"
                                 y3="-0.99654604"
                                 z3="-0.00000574">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">7</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="-0.70620119"
                                 y3="-1.99584716"
                                 z3="-0.00001405">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a17"
                                 x3="3.9338316"
                                 y3="-1.72673181"
                                 z3="0.00000198">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a18"
                                 x3="-2.95854562"
                                 y3="-0.85171112"
                                 z3="-0.00001051">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-3.00474671"
                                 y3="-1.50719986"
                                 z3="-0.87625491">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-3.00476278"
                                 y3="-1.50718506"
                                 z3="0.87624423">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="-4.14503952"
                                 y3="0.10487188"
                                 z3="-0.00002934">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="-5.07147011"
                                 y3="-0.46806104"
                                 z3="-0.00003847">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="-4.14843649"
                                 y3="0.73986442"
                                 z3="0.88727869">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-4.14841382"
                                 y3="0.73985719"
                                 z3="-0.88734266">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a25"
                                 x3="-0.71908314"
                                 y3="-3.61196594"
                                 z3="0.00508333">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a26"
                                 x3="-0.86578376"
                                 y3="-4.06496428"
                                 z3="0.83867281">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="-0.90125217"
                                 y3="-4.21178551"
                                 z3="-0.72198677">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a28"
                                 x3="-1.21673881"
                                 y3="-4.85986344"
                                 z3="-2.29006984">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="-0.52266009"
                                 y3="-5.36323601"
                                 z3="-2.72189247">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a30"
                                 x3="-1.99320819"
                                 y3="-4.8355157"
                                 z3="-2.85407559">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="O"
                                 id="a31"
                                 x3="-0.92862504"
                                 y3="-5.01605938"
                                 z3="2.6297326">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="-0.13061246"
                                 y3="-5.44533583"
                                 z3="2.94674623">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="-1.69632575"
                                 y3="-5.43144949"
                                 z3="3.02934075">
                              <scalar dataType="" dictRef="cc:basis"/>
                              <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a17" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a15" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a8" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a5 a9" order="S"/>
                           <bond atomRefs2="a6 a10" order="S"/>
                           <bond atomRefs2="a8 a11" order="S"/>
                           <bond atomRefs2="a8 a13" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                           <bond atomRefs2="a11 a14" order="S"/>
                           <bond atomRefs2="a12 a18" order="S"/>
                           <bond atomRefs2="a12 a15" order="S"/>
                           <bond atomRefs2="a15 a16" order="S"/>
                           <bond atomRefs2="a18 a21" order="S"/>
                           <bond atomRefs2="a18 a20" order="S"/>
                           <bond atomRefs2="a18 a19" order="S"/>
                           <bond atomRefs2="a21 a24" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a25 a27" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a28 a29" order="S"/>
                           <bond atomRefs2="a28 a30" order="S"/>
                           <bond atomRefs2="a31 a33" order="S"/>
                           <bond atomRefs2="a31 a32" order="S"/>
                        </bondArray>
                        <formula concise="C11H18NO3">
                           <atomArray count="11 18 1 3" elementType="C H N O"/>
                        </formula>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">194.1226</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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="7">wB97X-D3BJ Opt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF</array>
                     <array dataType="xsd:string" dictRef="cc:keywords" size="3">PAL8 defgrid3 VeryTightOpt</array>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">maxcore</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters">4096</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"/>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">geom</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"># geometry settings</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"># Step qn</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">MaxIter 300</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter"># MaxStep 0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Calc_Hess True</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">chelpg</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"># calculate partial charges</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">grid 0.1</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameter">rmax 3.0</scalar>
                     </module>
                     <module cmlx:templateRef="block">
                        <scalar dataType="xsd:string" dictRef="o:type">method</scalar>
                        <scalar dataType="xsd:string" dictRef="o:parameters"/>
                        <scalar dataType="xsd:string" dictRef="o:parameter">Z_tol    1e-10</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="C"
                              id="a1"
                              x3="3.155889"
                              y3="-0.913259"
                              z3="0.011005"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.878623"
                              y3="-1.404566"
                              z3="-0.025344"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.805534"
                              y3="-0.493212"
                              z3="-0.001239"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.032818"
                              y3="0.894585"
                              z3="0.057942"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.36883"
                              y3="1.365702"
                              z3="0.094197"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.406373"
                              y3="0.478083"
                              z3="0.071521"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.677304"
                              y3="-2.467695"
                              z3="-0.071419"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.094358"
                              y3="1.744948"
                              z3="0.08068"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547949"
                              y3="2.433323"
                              z3="0.140916"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.428456"
                              y3="0.833932"
                              z3="0.099914"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.366106"
                              y3="1.234494"
                              z3="0.047306"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.555503"
                              y3="-0.154413"
                              z3="-0.009247"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.058485"
                              y3="2.817724"
                              z3="0.126619"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.227092"
                              y3="1.885471"
                              z3="0.065774"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.488437"
                              y3="-0.944565"
                              z3="-0.031367"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.635696"
                              y3="-1.975458"
                              z3="-0.063604"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.992529"
                              y3="-1.601063"
                              z3="-0.006449"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.899249"
                              y3="-0.8308"
                              z3="-0.046867"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.926245"
                              y3="-1.454579"
                              z3="-0.945225"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.941513"
                              y3="-1.522613"
                              z3="0.799501"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.098253"
                              y3="0.109439"
                              z3="-0.020368"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.018435"
                              y3="-0.473408"
                              z3="-0.05117"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.118565"
                              y3="0.710522"
                              z3="0.89032"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.103212"
                              y3="0.780096"
                              z3="-0.881344"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.725814"
                              y3="-3.608927"
                              z3="-0.113905"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.866916"
                              y3="-4.071262"
                              z3="0.722852"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.979848"
                              y3="-4.227001"
                              z3="-0.821913"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.436139"
                              y3="-5.21722"
                              z3="-2.189352"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.825742"
                              y3="-5.860161"
                              z3="-2.555692"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.268902"
                              y3="-5.330671"
                              z3="-2.650934"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-0.939816"
                              y3="-5.028048"
                              z3="2.465845"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.175351"
                              y3="-5.509281"
                              z3="2.789805"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.706899"
                              y3="-5.425543"
                              z3="2.882773"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.142135"
                              y3="-0.924687"
                              z3="-0.001272"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.864888"
                              y3="-1.414129"
                              z3="0.025641"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.789757"
                              y3="-0.499794"
                              z3="0.011458"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.023985"
                              y3="0.887734"
                              z3="-0.029667"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.361217"
                              y3="1.356799"
                              z3="-0.056464"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.396648"
                              y3="0.467216"
                              z3="-0.042709"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.651744"
                              y3="-2.474118"
                              z3="0.056011"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.100731"
                              y3="1.742026"
                              z3="-0.044175"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542792"
                              y3="2.424651"
                              z3="-0.088774"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.419612"
                              y3="0.821566"
                              z3="-0.063816"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.369899"
                              y3="1.230816"
                              z3="-0.01988"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.556678"
                              y3="-0.162936"
                              z3="0.020238"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053971"
                              y3="2.815046"
                              z3="-0.075961"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.230509"
                              y3="1.882502"
                              z3="-0.031418"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.499654"
                              y3="-0.957984"
                              z3="0.03394"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.645504"
                              y3="-2.018411"
                              z3="0.056964"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.97788"
                              y3="-1.613964"
                              z3="0.008634"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.90495"
                              y3="-0.833327"
                              z3="0.049945"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.947883"
                              y3="-1.517093"
                              z3="-0.801548"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.934449"
                              y3="-1.468769"
                              z3="0.938887"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.098549"
                              y3="0.11388"
                              z3="0.033606"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.023406"
                              y3="-0.462342"
                              z3="0.05771"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.1001"
                              y3="0.775447"
                              z3="0.901772"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.115473"
                              y3="0.727057"
                              z3="-0.869395"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736396"
                              y3="-3.670312"
                              z3="0.097919"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.934035"
                              y3="-4.180207"
                              z3="0.899837"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.916086"
                              y3="-4.237648"
                              z3="-0.685131"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.220508"
                              y3="-4.972146"
                              z3="-2.295883"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.573349"
                              y3="-5.513458"
                              z3="-2.752528"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.986598"
                              y3="-4.973747"
                              z3="-2.871576"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.109883"
                              y3="-5.214232"
                              z3="2.558775"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.377413"
                              y3="-5.714372"
                              z3="2.925302"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.887878"
                              y3="-5.646495"
                              z3="2.915089"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.134411"
                              y3="-0.934585"
                              z3="0.035529"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.855126"
                              y3="-1.419603"
                              z3="0.04118"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.783664"
                              y3="-0.501765"
                              z3="0.015105"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.022738"
                              y3="0.885054"
                              z3="-0.017551"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.361749"
                              y3="1.349649"
                              z3="-0.021847"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.393994"
                              y3="0.456558"
                              z3="0.0045"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.638814"
                              y3="-2.479305"
                              z3="0.062134"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098946"
                              y3="1.743092"
                              z3="-0.044878"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547304"
                              y3="2.417003"
                              z3="-0.046727"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.418301"
                              y3="0.807564"
                              z3="0.001148"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.370323"
                              y3="1.236323"
                              z3="-0.040012"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.563002"
                              y3="-0.156471"
                              z3="-0.005434"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05979"
                              y3="2.815693"
                              z3="-0.0702"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.228391"
                              y3="1.891104"
                              z3="-0.060853"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.507997"
                              y3="-0.954835"
                              z3="0.020275"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.658822"
                              y3="-2.011553"
                              z3="0.050474"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.967577"
                              y3="-1.626766"
                              z3="0.054554"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.913544"
                              y3="-0.822478"
                              z3="0.002188"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.956488"
                              y3="-1.480529"
                              z3="-0.869691"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.947562"
                              y3="-1.484504"
                              z3="0.871186"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.103727"
                              y3="0.129048"
                              z3="0.009836"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.030495"
                              y3="-0.444414"
                              z3="0.021876"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.101146"
                              y3="0.770285"
                              z3="0.893161"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.120268"
                              y3="0.762993"
                              z3="-0.878652"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.769511"
                              y3="-3.658204"
                              z3="0.103525"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.873262"
                              y3="-4.18246"
                              z3="0.914203"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.960114"
                              y3="-4.237713"
                              z3="-0.665562"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.301813"
                              y3="-4.989064"
                              z3="-2.26825"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.667276"
                              y3="-5.540084"
                              z3="-2.73082"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.085716"
                              y3="-5.004192"
                              z3="-2.819592"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-0.974466"
                              y3="-5.209912"
                              z3="2.527251"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.242042"
                              y3="-5.714033"
                              z3="2.886624"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.753856"
                              y3="-5.637327"
                              z3="2.886851"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.144587"
                              y3="-0.923652"
                              z3="0.016649"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.866997"
                              y3="-1.413043"
                              z3="0.033022"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.792612"
                              y3="-0.4988"
                              z3="0.017518"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.026151"
                              y3="0.888915"
                              z3="-0.014774"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.36347"
                              y3="1.358089"
                              z3="-0.030633"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.398945"
                              y3="0.468423"
                              z3="-0.015214"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.655051"
                              y3="-2.473794"
                              z3="0.055501"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098891"
                              y3="1.742771"
                              z3="-0.031433"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545167"
                              y3="2.426087"
                              z3="-0.055839"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.421962"
                              y3="0.822915"
                              z3="-0.027807"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.368719"
                              y3="1.231587"
                              z3="-0.017302"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.556649"
                              y3="-0.161555"
                              z3="0.014968"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.055744"
                              y3="2.815975"
                              z3="-0.056546"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.22921"
                              y3="1.883375"
                              z3="-0.030545"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.497812"
                              y3="-0.955875"
                              z3="0.030849"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.643501"
                              y3="-2.011631"
                              z3="0.051747"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.980255"
                              y3="-1.612965"
                              z3="0.027556"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.904502"
                              y3="-0.8326"
                              z3="0.032816"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.94387"
                              y3="-1.5078"
                              z3="-0.825976"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.937186"
                              y3="-1.477388"
                              z3="0.915059"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.098609"
                              y3="0.113925"
                              z3="0.02087"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.022976"
                              y3="-0.463258"
                              z3="0.036804"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.103338"
                              y3="0.767842"
                              z3="0.894782"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.112936"
                              y3="0.734789"
                              z3="-0.876856"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.749726"
                              y3="-3.657239"
                              z3="0.090172"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.910368"
                              y3="-4.179361"
                              z3="0.893157"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.938104"
                              y3="-4.222233"
                              z3="-0.689002"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.275123"
                              y3="-5.020319"
                              z3="-2.264179"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.641207"
                              y3="-5.584743"
                              z3="-2.711414"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.058767"
                              y3="-5.042975"
                              z3="-2.815789"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.052867"
                              y3="-5.168897"
                              z3="2.494269"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.318584"
                              y3="-5.670631"
                              z3="2.853211"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.833294"
                              y3="-5.601363"
                              z3="2.845891"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.150264"
                              y3="-0.918414"
                              z3="0.009365"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.8734"
                              y3="-1.410001"
                              z3="0.024875"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.797954"
                              y3="-0.497531"
                              z3="0.018147"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.028523"
                              y3="0.890793"
                              z3="-0.004671"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.364996"
                              y3="1.362293"
                              z3="-0.020119"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.402028"
                              y3="0.474244"
                              z3="-0.013221"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.664214"
                              y3="-2.47163"
                              z3="0.040756"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098163"
                              y3="1.742568"
                              z3="-0.012837"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544829"
                              y3="2.430736"
                              z3="-0.038113"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.424401"
                              y3="0.830529"
                              z3="-0.025471"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.367541"
                              y3="1.22939"
                              z3="0.000566"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.553753"
                              y3="-0.163672"
                              z3="0.023145"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.054572"
                              y3="2.816186"
                              z3="-0.03081"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.229056"
                              y3="1.879906"
                              z3="-0.00637"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.492375"
                              y3="-0.955888"
                              z3="0.030727"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.636236"
                              y3="-2.008509"
                              z3="0.043192"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.987072"
                              y3="-1.606386"
                              z3="0.01379"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.900069"
                              y3="-0.837437"
                              z3="0.041195"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.934145"
                              y3="-1.522098"
                              z3="-0.810364"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.935472"
                              y3="-1.472641"
                              z3="0.930551"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.096308"
                              y3="0.10601"
                              z3="0.013904"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.019249"
                              y3="-0.473466"
                              z3="0.026292"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.109746"
                              y3="0.765362"
                              z3="0.883583"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.104674"
                              y3="0.721046"
                              z3="-0.887892"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.743918"
                              y3="-3.652981"
                              z3="0.06995"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.915676"
                              y3="-4.174089"
                              z3="0.871376"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.936321"
                              y3="-4.215504"
                              z3="-0.707765"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.287299"
                              y3="-5.051742"
                              z3="-2.262442"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.659052"
                              y3="-5.627883"
                              z3="-2.702782"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.080119"
                              y3="-5.088046"
                              z3="-2.80033"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.063977"
                              y3="-5.130148"
                              z3="2.479966"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.328478"
                              y3="-5.631701"
                              z3="2.837298"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.845927"
                              y3="-5.564728"
                              z3="2.826037"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.153809"
                              y3="-0.91562"
                              z3="-0.000941"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.877614"
                              y3="-1.408906"
                              z3="0.018064"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.801136"
                              y3="-0.497824"
                              z3="0.018605"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.029639"
                              y3="0.890876"
                              z3="-0.000506"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.365424"
                              y3="1.364153"
                              z3="-0.019909"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.403628"
                              y3="0.477419"
                              z3="-0.020137"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.670154"
                              y3="-2.470973"
                              z3="0.0316"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098219"
                              y3="1.741117"
                              z3="-0.001615"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.5438"
                              y3="2.432876"
                              z3="-0.035235"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.425477"
                              y3="0.835061"
                              z3="-0.035472"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.367017"
                              y3="1.226324"
                              z3="0.015051"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.551564"
                              y3="-0.166855"
                              z3="0.033552"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053048"
                              y3="2.814984"
                              z3="-0.016922"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.229364"
                              y3="1.875766"
                              z3="0.013236"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.488783"
                              y3="-0.957581"
                              z3="0.03423"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.631149"
                              y3="-2.0093"
                              z3="0.040859"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.991502"
                              y3="-1.602518"
                              z3="-0.001991"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.896797"
                              y3="-0.842532"
                              z3="0.056149"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.927477"
                              y3="-1.538703"
                              z3="-0.786092"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.933665"
                              y3="-1.465657"
                              z3="0.954135"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.094515"
                              y3="0.098443"
                              z3="0.013295"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.016456"
                              y3="-0.482598"
                              z3="0.025724"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.114419"
                              y3="0.76569"
                              z3="0.87677"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.09841"
                              y3="0.705141"
                              z3="-0.894178"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736166"
                              y3="-3.654106"
                              z3="0.057807"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.922263"
                              y3="-4.175624"
                              z3="0.855808"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.927671"
                              y3="-4.212024"
                              z3="-0.722768"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.279385"
                              y3="-5.064864"
                              z3="-2.26839"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.651461"
                              y3="-5.644144"
                              z3="-2.705129"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.073793"
                              y3="-5.105607"
                              z3="-2.803694"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.090071"
                              y3="-5.099831"
                              z3="2.476741"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.356711"
                              y3="-5.603344"
                              z3="2.837398"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.875176"
                              y3="-5.534665"
                              z3="2.815482"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.157984"
                              y3="-0.91256"
                              z3="-0.012935"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.88262"
                              y3="-1.407976"
                              z3="0.008606"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.804859"
                              y3="-0.498646"
                              z3="0.017332"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.030884"
                              y3="0.8905"
                              z3="0.003698"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.365819"
                              y3="1.366009"
                              z3="-0.018674"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.405439"
                              y3="0.480944"
                              z3="-0.02683"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.677186"
                              y3="-2.470544"
                              z3="0.018447"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098392"
                              y3="1.738822"
                              z3="0.010693"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542425"
                              y3="2.435073"
                              z3="-0.029843"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.426645"
                              y3="0.840298"
                              z3="-0.044405"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.36642"
                              y3="1.221975"
                              z3="0.030043"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.548855"
                              y3="-0.171398"
                              z3="0.043021"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051076"
                              y3="2.812993"
                              z3="-0.000498"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.229786"
                              y3="1.870046"
                              z3="0.034319"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.484469"
                              y3="-0.960257"
                              z3="0.035608"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.625071"
                              y3="-2.011123"
                              z3="0.037066"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.996756"
                              y3="-1.598093"
                              z3="-0.02011"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.892753"
                              y3="-0.849453"
                              z3="0.070009"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.920596"
                              y3="-1.555177"
                              z3="-0.76429"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.930031"
                              y3="-1.462385"
                              z3="0.975129"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.092267"
                              y3="0.088594"
                              z3="0.014939"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.012983"
                              y3="-0.494373"
                              z3="0.027192"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.117896"
                              y3="0.761796"
                              z3="0.873598"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.092909"
                              y3="0.688897"
                              z3="-0.896792"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.727778"
                              y3="-3.656155"
                              z3="0.045169"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.926992"
                              y3="-4.176336"
                              z3="0.840965"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.918195"
                              y3="-4.211423"
                              z3="-0.736862"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.270912"
                              y3="-5.077778"
                              z3="-2.276324"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.642973"
                              y3="-5.658883"
                              z3="-2.710661"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.067055"
                              y3="-5.123129"
                              z3="-2.808758"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.119804"
                              y3="-5.061682"
                              z3="2.475702"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.390915"
                              y3="-5.568819"
                              z3="2.842445"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.90994"
                              y3="-5.495188"
                              z3="2.804531"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.161908"
                              y3="-0.909608"
                              z3="-0.02233"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.887133"
                              y3="-1.406824"
                              z3="-0.003224"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.808484"
                              y3="-0.499065"
                              z3="0.013801"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.032307"
                              y3="0.890444"
                              z3="0.010504"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.366564"
                              y3="1.36787"
                              z3="-0.009672"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.407385"
                              y3="0.484256"
                              z3="-0.025623"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.68372"
                              y3="-2.469944"
                              z3="-0.001271"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098192"
                              y3="1.737041"
                              z3="0.025911"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54173"
                              y3="2.437214"
                              z3="-0.012597"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.428086"
                              y3="0.845091"
                              z3="-0.04124"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.365747"
                              y3="1.21853"
                              z3="0.044035"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.546741"
                              y3="-0.17481"
                              z3="0.047739"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049836"
                              y3="2.811464"
                              z3="0.022662"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.229887"
                              y3="1.865483"
                              z3="0.055028"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.480649"
                              y3="-0.961898"
                              z3="0.031401"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.620004"
                              y3="-2.010572"
                              z3="0.028742"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.001549"
                              y3="-1.593967"
                              z3="-0.035606"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.889434"
                              y3="-0.854948"
                              z3="0.075758"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.915572"
                              y3="-1.564083"
                              z3="-0.755754"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.926384"
                              y3="-1.464295"
                              z3="0.983469"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.090461"
                              y3="0.080936"
                              z3="0.016674"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.010106"
                              y3="-0.503721"
                              z3="0.02652"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.119977"
                              y3="0.754422"
                              z3="0.874965"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.089257"
                              y3="0.680806"
                              z3="-0.895318"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.723409"
                              y3="-3.655398"
                              z3="0.028222"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.925157"
                              y3="-4.173136"
                              z3="0.825101"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.913591"
                              y3="-4.212097"
                              z3="-0.751267"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.272721"
                              y3="-5.104129"
                              z3="-2.280491"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.645315"
                              y3="-5.687448"
                              z3="-2.712699"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.074475"
                              y3="-5.160724"
                              z3="-2.803531"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.134864"
                              y3="-5.017047"
                              z3="2.469846"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.411666"
                              y3="-5.52423"
                              z3="2.846595"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.930392"
                              y3="-5.451044"
                              z3="2.785181"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.166166"
                              y3="-0.90526"
                              z3="-0.034927"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.892247"
                              y3="-1.404593"
                              z3="-0.011847"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.812378"
                              y3="-0.498663"
                              z3="0.012958"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.033769"
                              y3="0.891214"
                              z3="0.013328"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.36714"
                              y3="1.370865"
                              z3="-0.011281"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.409319"
                              y3="0.48899"
                              z3="-0.034774"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.690865"
                              y3="-2.468163"
                              z3="-0.012431"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.098069"
                              y3="1.735844"
                              z3="0.036434"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54056"
                              y3="2.440493"
                              z3="-0.011481"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.429351"
                              y3="0.85153"
                              z3="-0.053761"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.364822"
                              y3="1.215299"
                              z3="0.058621"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.543776"
                              y3="-0.178166"
                              z3="0.058658"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.048207"
                              y3="2.810512"
                              z3="0.035813"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.22992"
                              y3="1.860846"
                              z3="0.075312"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.476158"
                              y3="-0.963327"
                              z3="0.034584"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.613892"
                              y3="-2.011045"
                              z3="0.027136"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.006829"
                              y3="-1.588214"
                              z3="-0.054066"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.885085"
                              y3="-0.860645"
                              z3="0.092313"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.908696"
                              y3="-1.579902"
                              z3="-0.730477"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.922089"
                              y3="-1.458932"
                              z3="1.007516"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.087909"
                              y3="0.072051"
                              z3="0.020633"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.006275"
                              y3="-0.514576"
                              z3="0.031458"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.122729"
                              y3="0.752403"
                              z3="0.873256"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.083914"
                              y3="0.664464"
                              z3="-0.896223"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.715142"
                              y3="-3.656098"
                              z3="0.015985"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.92609"
                              y3="-4.17485"
                              z3="0.809823"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.903169"
                              y3="-4.209382"
                              z3="-0.76578"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.260617"
                              y3="-5.1202"
                              z3="-2.285444"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.631401"
                              y3="-5.703976"
                              z3="-2.714447"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.063351"
                              y3="-5.182931"
                              z3="-2.806365"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.17048"
                              y3="-4.985872"
                              z3="2.464505"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.455119"
                              y3="-5.497026"
                              z3="2.853235"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.973428"
                              y3="-5.418122"
                              z3="2.763266"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.168206"
                              y3="-0.90305"
                              z3="-0.041715"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.893904"
                              y3="-1.402276"
                              z3="-0.030186"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.814836"
                              y3="-0.496728"
                              z3="0.004842"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.03559"
                              y3="0.892937"
                              z3="0.026185"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.36905"
                              y3="1.372585"
                              z3="0.013157"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.411281"
                              y3="0.490892"
                              z3="-0.019596"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.693852"
                              y3="-2.466252"
                              z3="-0.04725"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.096457"
                              y3="1.736978"
                              z3="0.060089"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542598"
                              y3="2.442036"
                              z3="0.030032"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431402"
                              y3="0.853456"
                              z3="-0.028977"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.363891"
                              y3="1.216723"
                              z3="0.073932"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.544113"
                              y3="-0.175803"
                              z3="0.055919"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049957"
                              y3="2.811512"
                              z3="0.075831"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.228742"
                              y3="1.862275"
                              z3="0.099905"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.474882"
                              y3="-0.960001"
                              z3="0.019753"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.612988"
                              y3="-2.001695"
                              z3="0.009176"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.008748"
                              y3="-1.585864"
                              z3="-0.068144"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.884992"
                              y3="-0.858699"
                              z3="0.084121"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.910053"
                              y3="-1.569343"
                              z3="-0.74639"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.920423"
                              y3="-1.46668"
                              z3="0.993181"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.088046"
                              y3="0.074622"
                              z3="0.024975"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.006132"
                              y3="-0.51242"
                              z3="0.029025"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.122357"
                              y3="0.744051"
                              z3="0.886213"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.084661"
                              y3="0.678461"
                              z3="-0.884308"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.724528"
                              y3="-3.645644"
                              z3="-0.012837"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.922655"
                              y3="-4.158966"
                              z3="0.787998"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.909244"
                              y3="-4.210536"
                              z3="-0.78296"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.273067"
                              y3="-5.189872"
                              z3="-2.277515"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.6400"
                              y3="-5.772862"
                              z3="-2.702025"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.088309"
                              y3="-5.287389"
                              z3="-2.773528"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.159033"
                              y3="-4.934405"
                              z3="2.437979"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.446695"
                              y3="-5.423152"
                              z3="2.851904"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-1.963455"
                              y3="-5.380325"
                              z3="2.712745"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17316"
                              y3="-0.897267"
                              z3="-0.059263"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.899756"
                              y3="-1.398718"
                              z3="-0.041368"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.819581"
                              y3="-0.49518"
                              z3="0.003244"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.037809"
                              y3="0.894789"
                              z3="0.027668"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.370313"
                              y3="1.376794"
                              z3="0.007659"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413862"
                              y3="0.497009"
                              z3="-0.034418"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.70185"
                              y3="-2.463157"
                              z3="-0.060231"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.095579"
                              y3="1.736606"
                              z3="0.0712"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542113"
                              y3="2.446483"
                              z3="0.026754"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.433264"
                              y3="0.861385"
                              z3="-0.049122"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.362149"
                              y3="1.214155"
                              z3="0.09147"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.540336"
                              y3="-0.178412"
                              z3="0.070191"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.04902"
                              y3="2.811351"
                              z3="0.089128"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.227933"
                              y3="1.858126"
                              z3="0.124564"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.469501"
                              y3="-0.960372"
                              z3="0.024459"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.605883"
                              y3="-2.000768"
                              z3="0.009027"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.014691"
                              y3="-1.578532"
                              z3="-0.092908"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.879588"
                              y3="-0.863914"
                              z3="0.106685"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.90229"
                              y3="-1.587285"
                              z3="-0.712764"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.914478"
                              y3="-1.457929"
                              z3="1.025157"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.084747"
                              y3="0.065627"
                              z3="0.032634"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.0013"
                              y3="-0.523756"
                              z3="0.039103"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.124698"
                              y3="0.744016"
                              z3="0.886545"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.078708"
                              y3="0.659775"
                              z3="-0.88301"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.718685"
                              y3="-3.644385"
                              z3="-0.024052"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.928079"
                              y3="-4.159063"
                              z3="0.773025"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.898388"
                              y3="-4.206073"
                              z3="-0.796795"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.249839"
                              y3="-5.210758"
                              z3="-2.280158"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.610592"
                              y3="-5.791029"
                              z3="-2.699162"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.064585"
                              y3="-5.320525"
                              z3="-2.774548"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.211626"
                              y3="-4.905397"
                              z3="2.4265"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.509054"
                              y3="-5.394105"
                              z3="2.859349"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.022678"
                              y3="-5.354921"
                              z3="2.674966"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.179199"
                              y3="-0.889756"
                              z3="-0.084802"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.906888"
                              y3="-1.393774"
                              z3="-0.058013"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825674"
                              y3="-0.492616"
                              z3="-0.000477"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040977"
                              y3="0.897659"
                              z3="0.02784"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37227"
                              y3="1.382402"
                              z3="-0.001893"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417195"
                              y3="0.504862"
                              z3="-0.056578"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.711577"
                              y3="-2.458791"
                              z3="-0.078885"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.093845"
                              y3="1.736809"
                              z3="0.084652"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542115"
                              y3="2.452339"
                              z3="0.020034"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435691"
                              y3="0.871353"
                              z3="-0.078662"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359352"
                              y3="1.211812"
                              z3="0.114105"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.53537"
                              y3="-0.180721"
                              z3="0.088659"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.048695"
                              y3="2.811777"
                              z3="0.105446"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.226093"
                              y3="1.853902"
                              z3="0.157191"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.462689"
                              y3="-0.959933"
                              z3="0.029745"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597175"
                              y3="-1.998334"
                              z3="0.0087"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.021742"
                              y3="-1.569202"
                              z3="-0.128141"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.872558"
                              y3="-0.869237"
                              z3="0.136638"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.894037"
                              y3="-1.606272"
                              z3="-0.670519"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.905039"
                              y3="-1.447856"
                              z3="1.065225"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.080365"
                              y3="0.055691"
                              z3="0.048791"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.995033"
                              y3="-0.536506"
                              z3="0.059585"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.12506"
                              y3="0.743602"
                              z3="0.894764"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.073282"
                              y3="0.639312"
                              z3="-0.873593"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.714264"
                              y3="-3.641245"
                              z3="-0.036884"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.943162"
                              y3="-4.15504"
                              z3="0.755347"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.88378"
                              y3="-4.20095"
                              z3="-0.811999"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.208593"
                              y3="-5.241812"
                              z3="-2.281963"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.557131"
                              y3="-5.815039"
                              z3="-2.691865"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.02146"
                              y3="-5.374454"
                              z3="-2.774006"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.291518"
                              y3="-4.872114"
                              z3="2.406034"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.600585"
                              y3="-5.350275"
                              z3="2.870019"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.106931"
                              y3="-5.333023"
                              z3="2.617036"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.179357"
                              y3="-0.892268"
                              z3="-0.167766"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90687"
                              y3="-1.396198"
                              z3="-0.146274"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.826965"
                              y3="-0.497009"
                              z3="-0.039066"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.042843"
                              y3="0.891302"
                              z3="0.044037"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374167"
                              y3="1.37604"
                              z3="0.018004"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418211"
                              y3="0.50036"
                              z3="-0.085734"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.711358"
                              y3="-2.460136"
                              z3="-0.204972"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091283"
                              y3="1.728384"
                              z3="0.149101"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544774"
                              y3="2.44445"
                              z3="0.08168"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436728"
                              y3="0.866861"
                              z3="-0.10549"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.357206"
                              y3="1.203642"
                              z3="0.170133"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.534635"
                              y3="-0.186547"
                              z3="0.086876"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051975"
                              y3="2.80184"
                              z3="0.213157"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.223331"
                              y3="1.844338"
                              z3="0.249333"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.461864"
                              y3="-0.963782"
                              z3="-0.013377"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597171"
                              y3="-1.998503"
                              z3="-0.077652"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.021188"
                              y3="-1.570235"
                              z3="-0.248432"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.871849"
                              y3="-0.875328"
                              z3="0.117745"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.903174"
                              y3="-1.571726"
                              z3="-0.7202"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.894998"
                              y3="-1.495137"
                              z3="1.016678"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.0795"
                              y3="0.049786"
                              z3="0.087018"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.994054"
                              y3="-0.542548"
                              z3="0.08254"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.113245"
                              y3="0.697389"
                              z3="0.961942"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.083214"
                              y3="0.673696"
                              z3="-0.806432"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.715408"
                              y3="-3.640079"
                              z3="-0.04301"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.975186"
                              y3="-4.103481"
                              z3="0.770975"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.899047"
                              y3="-4.226623"
                              z3="-0.789811"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.102952"
                              y3="-5.296328"
                              z3="-2.261527"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.407154"
                              y3="-5.842225"
                              z3="-2.626193"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.893158"
                              y3="-5.48865"
                              z3="-2.77456"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.404403"
                              y3="-4.770936"
                              z3="2.418016"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.724954"
                              y3="-5.243305"
                              z3="2.912429"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.23195"
                              y3="-5.242475"
                              z3="2.592363"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174273"
                              y3="-0.899548"
                              z3="-0.149006"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.901116"
                              y3="-1.401424"
                              z3="-0.106572"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822828"
                              y3="-0.499177"
                              z3="-0.008829"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041037"
                              y3="0.890074"
                              z3="0.043363"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372993"
                              y3="1.37261"
                              z3="-0.004128"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415432"
                              y3="0.493971"
                              z3="-0.098124"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.703813"
                              y3="-2.465868"
                              z3="-0.143733"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091557"
                              y3="1.730344"
                              z3="0.137403"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545397"
                              y3="2.441732"
                              z3="0.035195"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434415"
                              y3="0.858809"
                              z3="-0.134408"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358159"
                              y3="1.207647"
                              z3="0.179045"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.537848"
                              y3="-0.183639"
                              z3="0.128079"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053501"
                              y3="2.804589"
                              z3="0.175679"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.223153"
                              y3="1.850734"
                              z3="0.248136"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466634"
                              y3="-0.96375"
                              z3="0.034622"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.604385"
                              y3="-1.999258"
                              z3="-0.017188"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.014872"
                              y3="-1.579839"
                              z3="-0.222853"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.875671"
                              y3="-0.870739"
                              z3="0.193739"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.884348"
                              y3="-1.66518"
                              z3="-0.568917"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.922685"
                              y3="-1.390418"
                              z3="1.164677"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082224"
                              y3="0.053576"
                              z3="0.025065"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996822"
                              y3="-0.538844"
                              z3="0.034219"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.15511"
                              y3="0.782617"
                              z3="0.840456"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.046061"
                              y3="0.595467"
                              z3="-0.926474"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.722065"
                              y3="-3.642827"
                              z3="-0.047906"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.969464"
                              y3="-4.134426"
                              z3="0.753259"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.905604"
                              y3="-4.208102"
                              z3="-0.814063"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.122445"
                              y3="-5.251287"
                              z3="-2.300215"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.438112"
                              y3="-5.813391"
                              z3="-2.672121"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.912574"
                              y3="-5.418539"
                              z3="-2.819531"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.362305"
                              y3="-4.823947"
                              z3="2.398829"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.671042"
                              y3="-5.273555"
                              z3="2.895188"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.176708"
                              y3="-5.283842"
                              z3="2.608641"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.172044"
                              y3="-0.899721"
                              z3="-0.077203"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.898444"
                              y3="-1.400405"
                              z3="-0.043932"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82009"
                              y3="-0.49644"
                              z3="0.007371"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.039152"
                              y3="0.893253"
                              z3="0.023347"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.371607"
                              y3="1.374501"
                              z3="-0.013067"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413916"
                              y3="0.494227"
                              z3="-0.061843"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.700442"
                              y3="-2.465009"
                              z3="-0.056292"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.093171"
                              y3="1.73533"
                              z3="0.074118"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544501"
                              y3="2.443964"
                              z3="-0.001135"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.433291"
                              y3="0.85807"
                              z3="-0.089253"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.360044"
                              y3="1.213762"
                              z3="0.109926"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.540251"
                              y3="-0.178164"
                              z3="0.095903"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052439"
                              y3="2.809892"
                              z3="0.085024"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224831"
                              y3="1.858103"
                              z3="0.148391"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.469675"
                              y3="-0.960072"
                              z3="0.041969"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.607513"
                              y3="-1.997341"
                              z3="0.02456"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012539"
                              y3="-1.581361"
                              z3="-0.116089"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.878984"
                              y3="-0.863201"
                              z3="0.150209"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.903502"
                              y3="-1.605305"
                              z3="-0.652568"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.911725"
                              y3="-1.435976"
                              z3="1.082686"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.084656"
                              y3="0.064316"
                              z3="0.057739"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.000585"
                              y3="-0.525901"
                              z3="0.074966"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.12586"
                              y3="0.758974"
                              z3="0.898735"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.07818"
                              y3="0.640874"
                              z3="-0.869475"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.724784"
                              y3="-3.640177"
                              z3="-0.04279"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.946953"
                              y3="-4.157972"
                              z3="0.747554"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.905906"
                              y3="-4.193076"
                              z3="-0.821251"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.179242"
                              y3="-5.23424"
                              z3="-2.301554"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.518128"
                              y3="-5.816337"
                              z3="-2.690864"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.977367"
                              y3="-5.36808"
                              z3="-2.814975"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.290742"
                              y3="-4.888654"
                              z3="2.386367"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.58903"
                              y3="-5.32952"
                              z3="2.872077"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.092636"
                              y3="-5.333749"
                              z3="2.632877"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.180871"
                              y3="-0.885166"
                              z3="-0.107028"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.908722"
                              y3="-1.389487"
                              z3="-0.072357"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828351"
                              y3="-0.489023"
                              z3="-0.007561"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043565"
                              y3="0.900877"
                              z3="0.020937"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374543"
                              y3="1.386032"
                              z3="-0.017689"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418955"
                              y3="0.509124"
                              z3="-0.079938"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.713809"
                              y3="-2.454495"
                              z3="-0.09154"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.090977"
                              y3="1.739079"
                              z3="0.086972"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544609"
                              y3="2.455731"
                              z3="0.003809"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437211"
                              y3="0.875957"
                              z3="-0.108702"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.356346"
                              y3="1.213612"
                              z3="0.12595"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.533004"
                              y3="-0.178408"
                              z3="0.098883"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051576"
                              y3="2.813854"
                              z3="0.107801"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.22272"
                              y3="1.855139"
                              z3="0.176821"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.460174"
                              y3="-0.956405"
                              z3="0.029726"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.594531"
                              y3="-1.992849"
                              z3="0.006172"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.022978"
                              y3="-1.56413"
                              z3="-0.1557"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.869612"
                              y3="-0.867447"
                              z3="0.155049"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.896822"
                              y3="-1.6030"
                              z3="-0.652688"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895874"
                              y3="-1.447027"
                              z3="1.082803"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.078094"
                              y3="0.056702"
                              z3="0.07613"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.992254"
                              y3="-0.536258"
                              z3="0.092083"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.117457"
                              y3="0.743419"
                              z3="0.922939"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.077146"
                              y3="0.641382"
                              z3="-0.845366"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.711365"
                              y3="-3.636075"
                              z3="-0.035016"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.958348"
                              y3="-4.147264"
                              z3="0.755064"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.880046"
                              y3="-4.196021"
                              z3="-0.810699"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.152591"
                              y3="-5.264025"
                              z3="-2.278599"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.480979"
                              y3="-5.829374"
                              z3="-2.667294"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.952845"
                              y3="-5.420784"
                              z3="-2.783512"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.376856"
                              y3="-4.874271"
                              z3="2.387048"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.6843"
                              y3="-5.321962"
                              z3="2.876591"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.188148"
                              y3="-5.362867"
                              z3="2.570441"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175652"
                              y3="-0.894894"
                              z3="-0.097692"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90276"
                              y3="-1.39726"
                              z3="-0.077364"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822784"
                              y3="-0.495077"
                              z3="-0.007006"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.039858"
                              y3="0.894532"
                              z3="0.040501"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.371683"
                              y3="1.377563"
                              z3="0.017401"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415423"
                              y3="0.49905"
                              z3="-0.050153"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706038"
                              y3="-2.46176"
                              z3="-0.112551"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.093835"
                              y3="1.734768"
                              z3="0.107756"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542902"
                              y3="2.447004"
                              z3="0.053987"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434322"
                              y3="0.864237"
                              z3="-0.067842"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359942"
                              y3="1.211446"
                              z3="0.127456"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.537848"
                              y3="-0.180438"
                              z3="0.081461"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05009"
                              y3="2.809268"
                              z3="0.143615"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.225806"
                              y3="1.854336"
                              z3="0.177708"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466171"
                              y3="-0.960644"
                              z3="0.015412"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.601934"
                              y3="-1.998168"
                              z3="-0.022043"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.017289"
                              y3="-1.575132"
                              z3="-0.151158"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.875883"
                              y3="-0.867268"
                              z3="0.114422"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.896471"
                              y3="-1.589195"
                              z3="-0.706287"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.9108"
                              y3="-1.462777"
                              z3="1.031782"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.08258"
                              y3="0.060866"
                              z3="0.040642"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.998186"
                              y3="-0.52969"
                              z3="0.041007"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.127112"
                              y3="0.735127"
                              z3="0.897588"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.073899"
                              y3="0.658981"
                              z3="-0.872217"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.721606"
                              y3="-3.642053"
                              z3="-0.041413"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.936476"
                              y3="-4.138524"
                              z3="0.763424"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.897201"
                              y3="-4.219108"
                              z3="-0.800675"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.211918"
                              y3="-5.253728"
                              z3="-2.27784"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.552687"
                              y3="-5.816487"
                              z3="-2.683406"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.025924"
                              y3="-5.403086"
                              z3="-2.765417"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.271784"
                              y3="-4.857212"
                              z3="2.410171"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.575127"
                              y3="-5.306923"
                              z3="2.89682"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.080908"
                              y3="-5.323185"
                              z3="2.633438"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17295"
                              y3="-0.899208"
                              z3="-0.10344"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.89947"
                              y3="-1.400128"
                              z3="-0.074892"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.820714"
                              y3="-0.496435"
                              z3="-0.007369"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.039376"
                              y3="0.89322"
                              z3="0.029075"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.371752"
                              y3="1.374659"
                              z3="-0.002438"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41441"
                              y3="0.494665"
                              z3="-0.067086"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.701705"
                              y3="-2.464662"
                              z3="-0.101626"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.093234"
                              y3="1.735098"
                              z3="0.09481"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54425"
                              y3="2.444069"
                              z3="0.025736"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.433716"
                              y3="0.858633"
                              z3="-0.090949"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.360109"
                              y3="1.213482"
                              z3="0.124102"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.53989"
                              y3="-0.178294"
                              z3="0.089607"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052108"
                              y3="2.809583"
                              z3="0.122177"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.225132"
                              y3="1.857658"
                              z3="0.173668"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.468968"
                              y3="-0.960097"
                              z3="0.023691"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606645"
                              y3="-1.99734"
                              z3="-0.005095"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.013724"
                              y3="-1.580601"
                              z3="-0.154691"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.878741"
                              y3="-0.863631"
                              z3="0.135717"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.905405"
                              y3="-1.592171"
                              z3="-0.678947"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.909454"
                              y3="-1.451734"
                              z3="1.058583"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.0843"
                              y3="0.065268"
                              z3="0.061826"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.000473"
                              y3="-0.524525"
                              z3="0.071817"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.122984"
                              y3="0.745738"
                              z3="0.913913"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.07998"
                              y3="0.656815"
                              z3="-0.855456"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.719963"
                              y3="-3.641226"
                              z3="-0.037862"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.956646"
                              y3="-4.143456"
                              z3="0.760365"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.899667"
                              y3="-4.204659"
                              z3="-0.807366"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.159867"
                              y3="-5.245927"
                              z3="-2.288001"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.493415"
                              y3="-5.824929"
                              z3="-2.669553"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.954961"
                              y3="-5.388318"
                              z3="-2.802173"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.313405"
                              y3="-4.869113"
                              z3="2.403312"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.615809"
                              y3="-5.308741"
                              z3="2.89769"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.120426"
                              y3="-5.339127"
                              z3="2.622385"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.171101"
                              y3="-0.898453"
                              z3="-0.099802"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.89707"
                              y3="-1.398127"
                              z3="-0.067505"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.819654"
                              y3="-0.493551"
                              z3="-0.00442"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04006"
                              y3="0.895735"
                              z3="0.02446"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372942"
                              y3="1.375928"
                              z3="-0.011386"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414333"
                              y3="0.495064"
                              z3="-0.071883"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.69806"
                              y3="-2.462403"
                              z3="-0.088117"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091432"
                              y3="1.738509"
                              z3="0.087186"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546862"
                              y3="2.445081"
                              z3="0.010448"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434011"
                              y3="0.858105"
                              z3="-0.098854"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358862"
                              y3="1.217988"
                              z3="0.121741"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.540471"
                              y3="-0.173533"
                              z3="0.094229"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.055209"
                              y3="2.812796"
                              z3="0.108312"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.222995"
                              y3="1.862911"
                              z3="0.169324"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.470552"
                              y3="-0.956052"
                              z3="0.029789"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.609461"
                              y3="-1.992815"
                              z3="0.00308"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.010863"
                              y3="-1.58059"
                              z3="-0.147409"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.879853"
                              y3="-0.85779"
                              z3="0.145443"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.907853"
                              y3="-1.591395"
                              z3="-0.664897"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.910385"
                              y3="-1.440264"
                              z3="1.07202"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.084643"
                              y3="0.071635"
                              z3="0.066496"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.001129"
                              y3="-0.517802"
                              z3="0.080536"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.122382"
                              y3="0.757433"
                              z3="0.91463"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.080391"
                              y3="0.65778"
                              z3="-0.854553"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.725032"
                              y3="-3.635639"
                              z3="-0.03476"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.956896"
                              y3="-4.144867"
                              z3="0.75952"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.902322"
                              y3="-4.1969"
                              z3="-0.80775"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.149172"
                              y3="-5.254643"
                              z3="-2.280735"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.470399"
                              y3="-5.816978"
                              z3="-2.662152"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.94619"
                              y3="-5.41899"
                              z3="-2.794064"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.326081"
                              y3="-4.883319"
                              z3="2.393497"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.623595"
                              y3="-5.32867"
                              z3="2.866289"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.125367"
                              y3="-5.371617"
                              z3="2.602816"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.172236"
                              y3="-0.897493"
                              z3="-0.082553"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.898359"
                              y3="-1.397997"
                              z3="-0.058347"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.820157"
                              y3="-0.494191"
                              z3="-0.002258"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.039615"
                              y3="0.895102"
                              z3="0.027904"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372409"
                              y3="1.376189"
                              z3="0.000591"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414535"
                              y3="0.496088"
                              z3="-0.053112"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.699978"
                              y3="-2.462286"
                              z3="-0.080349"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092691"
                              y3="1.736975"
                              z3="0.083379"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545598"
                              y3="2.445401"
                              z3="0.023455"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434143"
                              y3="0.859777"
                              z3="-0.07356"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.360039"
                              y3="1.215505"
                              z3="0.109971"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.540735"
                              y3="-0.176035"
                              z3="0.081295"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053138"
                              y3="2.811327"
                              z3="0.105566"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224717"
                              y3="1.859872"
                              z3="0.152325"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.47004"
                              y3="-0.957665"
                              z3="0.023838"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606747"
                              y3="-1.994115"
                              z3="-0.001872"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01253"
                              y3="-1.57911"
                              z3="-0.124919"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.879949"
                              y3="-0.861126"
                              z3="0.12251"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.907241"
                              y3="-1.583026"
                              z3="-0.698137"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.910776"
                              y3="-1.456594"
                              z3="1.040123"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.085103"
                              y3="0.068617"
                              z3="0.055649"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.001496"
                              y3="-0.521043"
                              z3="0.064957"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.121122"
                              y3="0.74529"
                              z3="0.911088"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.082876"
                              y3="0.664552"
                              z3="-0.858856"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.716579"
                              y3="-3.637258"
                              z3="-0.03536"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.936308"
                              y3="-4.148354"
                              z3="0.761287"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.886656"
                              y3="-4.205258"
                              z3="-0.80447"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.199524"
                              y3="-5.246866"
                              z3="-2.280788"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.538648"
                              y3="-5.807568"
                              z3="-2.685921"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-2.008601"
                              y3="-5.386171"
                              z3="-2.77641"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.277437"
                              y3="-4.900043"
                              z3="2.393696"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.576784"
                              y3="-5.312726"
                              z3="2.907724"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.08393"
                              y3="-5.375202"
                              z3="2.613082"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175622"
                              y3="-0.896324"
                              z3="-0.107094"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902586"
                              y3="-1.398461"
                              z3="-0.082047"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822919"
                              y3="-0.495867"
                              z3="-0.009935"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.0402"
                              y3="0.893902"
                              z3="0.034567"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372159"
                              y3="1.376659"
                              z3="0.006655"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415694"
                              y3="0.497757"
                              z3="-0.062609"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705719"
                              y3="-2.463098"
                              z3="-0.114494"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.093381"
                              y3="1.734438"
                              z3="0.104078"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543652"
                              y3="2.446182"
                              z3="0.041045"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434689"
                              y3="0.862734"
                              z3="-0.083906"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.35974"
                              y3="1.211384"
                              z3="0.128692"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.538003"
                              y3="-0.180556"
                              z3="0.085792"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05076"
                              y3="2.809042"
                              z3="0.137814"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.225521"
                              y3="1.854548"
                              z3="0.180683"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466238"
                              y3="-0.961039"
                              z3="0.017402"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.602422"
                              y3="-1.998536"
                              z3="-0.016001"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.017141"
                              y3="-1.576796"
                              z3="-0.161927"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.87611"
                              y3="-0.867399"
                              z3="0.124873"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.899209"
                              y3="-1.59238"
                              z3="-0.693157"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.908661"
                              y3="-1.459659"
                              z3="1.044729"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082967"
                              y3="0.060452"
                              z3="0.050859"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.998514"
                              y3="-0.530308"
                              z3="0.054453"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.125886"
                              y3="0.73696"
                              z3="0.906091"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.076037"
                              y3="0.656179"
                              z3="-0.863586"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.72067"
                              y3="-3.641465"
                              z3="-0.033725"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.949925"
                              y3="-4.139375"
                              z3="0.767673"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.899897"
                              y3="-4.211179"
                              z3="-0.797944"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.180506"
                              y3="-5.243238"
                              z3="-2.279744"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.52003"
                              y3="-5.822884"
                              z3="-2.668537"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.980977"
                              y3="-5.380693"
                              z3="-2.786362"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.305748"
                              y3="-4.862302"
                              z3="2.410429"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.606463"
                              y3="-5.303832"
                              z3="2.898933"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.109536"
                              y3="-5.340278"
                              z3="2.62783"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173555"
                              y3="-0.897687"
                              z3="-0.089765"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.899962"
                              y3="-1.398385"
                              z3="-0.060114"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.821179"
                              y3="-0.494333"
                              z3="-0.003056"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.039952"
                              y3="0.895479"
                              z3="0.022307"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37245"
                              y3="1.376698"
                              z3="-0.010123"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415119"
                              y3="0.496353"
                              z3="-0.064733"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.702111"
                              y3="-2.463017"
                              z3="-0.078407"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092711"
                              y3="1.73767"
                              z3="0.078693"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545068"
                              y3="2.446222"
                              z3="0.009453"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434508"
                              y3="0.860165"
                              z3="-0.089187"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359677"
                              y3="1.216194"
                              z3="0.110126"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.539539"
                              y3="-0.175776"
                              z3="0.086705"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052684"
                              y3="2.812279"
                              z3="0.097427"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224742"
                              y3="1.860608"
                              z3="0.153042"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.468561"
                              y3="-0.957856"
                              z3="0.028718"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606255"
                              y3="-1.99553"
                              z3="0.008267"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.014343"
                              y3="-1.579345"
                              z3="-0.133048"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.878452"
                              y3="-0.861034"
                              z3="0.134878"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.907247"
                              y3="-1.587415"
                              z3="-0.681415"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.9071"
                              y3="-1.451464"
                              z3="1.056082"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.083975"
                              y3="0.067938"
                              z3="0.065881"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.000168"
                              y3="-0.52184"
                              z3="0.079973"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.118632"
                              y3="0.74869"
                              z3="0.917831"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.08364"
                              y3="0.65922"
                              z3="-0.851556"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.721676"
                              y3="-3.638531"
                              z3="-0.03074"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.953886"
                              y3="-4.150264"
                              z3="0.762984"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.894226"
                              y3="-4.198815"
                              z3="-0.805182"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.170333"
                              y3="-5.240001"
                              z3="-2.284519"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.500079"
                              y3="-5.802962"
                              z3="-2.680965"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.972953"
                              y3="-5.3859"
                              z3="-2.794077"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.311209"
                              y3="-4.900632"
                              z3="2.394431"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.608985"
                              y3="-5.32039"
                              z3="2.89823"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.112185"
                              y3="-5.381768"
                              z3="2.613389"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173118"
                              y3="-0.897794"
                              z3="-0.090716"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.899261"
                              y3="-1.398324"
                              z3="-0.066798"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.821008"
                              y3="-0.494658"
                              z3="-0.006445"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040131"
                              y3="0.894599"
                              z3="0.028117"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37287"
                              y3="1.375719"
                              z3="0.000994"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415163"
                              y3="0.495727"
                              z3="-0.056852"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.701279"
                              y3="-2.462705"
                              z3="-0.091806"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092329"
                              y3="1.736303"
                              z3="0.087513"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54588"
                              y3="2.444878"
                              z3="0.027262"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43472"
                              y3="0.859457"
                              z3="-0.077188"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.35972"
                              y3="1.214883"
                              z3="0.113352"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.540343"
                              y3="-0.176431"
                              z3="0.08015"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053356"
                              y3="2.810589"
                              z3="0.113001"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224488"
                              y3="1.859151"
                              z3="0.158461"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.4692"
                              y3="-0.957928"
                              z3="0.019793"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606472"
                              y3="-1.993544"
                              z3="-0.011241"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.013548"
                              y3="-1.579279"
                              z3="-0.136208"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.879426"
                              y3="-0.861841"
                              z3="0.118997"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.908287"
                              y3="-1.577483"
                              z3="-0.706909"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.908404"
                              y3="-1.464321"
                              z3="1.032074"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.084752"
                              y3="0.068001"
                              z3="0.061413"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-5.000993"
                              y3="-0.521838"
                              z3="0.070599"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.117855"
                              y3="0.739904"
                              z3="0.920548"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.085707"
                              y3="0.668851"
                              z3="-0.849829"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.721222"
                              y3="-3.636075"
                              z3="-0.032884"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.947534"
                              y3="-4.142805"
                              z3="0.765227"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.894092"
                              y3="-4.204546"
                              z3="-0.799804"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.185468"
                              y3="-5.248251"
                              z3="-2.276901"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.519988"
                              y3="-5.808574"
                              z3="-2.67594"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.989726"
                              y3="-5.388981"
                              z3="-2.777634"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.295755"
                              y3="-4.896442"
                              z3="2.395994"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.590669"
                              y3="-5.300177"
                              z3="2.905565"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.093201"
                              y3="-5.381493"
                              z3="2.619624"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175659"
                              y3="-0.8948"
                              z3="-0.087121"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902385"
                              y3="-1.396514"
                              z3="-0.058233"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.823073"
                              y3="-0.493306"
                              z3="-0.001676"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040895"
                              y3="0.896595"
                              z3="0.023641"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373106"
                              y3="1.378944"
                              z3="-0.008061"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.416274"
                              y3="0.499467"
                              z3="-0.06192"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705094"
                              y3="-2.461279"
                              z3="-0.077151"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092401"
                              y3="1.737695"
                              z3="0.078989"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545039"
                              y3="2.448625"
                              z3="0.011396"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435448"
                              y3="0.864152"
                              z3="-0.085841"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359003"
                              y3="1.214897"
                              z3="0.109405"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.537793"
                              y3="-0.177269"
                              z3="0.08603"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052107"
                              y3="2.812481"
                              z3="0.097612"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224507"
                              y3="1.85854"
                              z3="0.151328"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466307"
                              y3="-0.958186"
                              z3="0.029536"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.602778"
                              y3="-1.99569"
                              z3="0.00845"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.016864"
                              y3="-1.575809"
                              z3="-0.130062"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.876033"
                              y3="-0.863823"
                              z3="0.131559"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.904517"
                              y3="-1.585767"
                              z3="-0.688816"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.90328"
                              y3="-1.459406"
                              z3="1.048994"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082791"
                              y3="0.064222"
                              z3="0.06803"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.998417"
                              y3="-0.5265"
                              z3="0.081493"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.116713"
                              y3="0.742113"
                              z3="0.922566"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.084771"
                              y3="0.65871"
                              z3="-0.847297"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.725003"
                              y3="-3.63761"
                              z3="-0.033434"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.950276"
                              y3="-4.146612"
                              z3="0.761181"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.897444"
                              y3="-4.202064"
                              z3="-0.804064"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.179107"
                              y3="-5.243936"
                              z3="-2.285525"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.516325"
                              y3="-5.815324"
                              z3="-2.681656"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.981537"
                              y3="-5.388572"
                              z3="-2.791451"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.308549"
                              y3="-4.892139"
                              z3="2.39012"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.611332"
                              y3="-5.310883"
                              z3="2.90356"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.112363"
                              y3="-5.376386"
                              z3="2.599947"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.176974"
                              y3="-0.89475"
                              z3="-0.099696"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904072"
                              y3="-1.397001"
                              z3="-0.07199"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.824106"
                              y3="-0.494273"
                              z3="-0.007804"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040982"
                              y3="0.895794"
                              z3="0.026344"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372818"
                              y3="1.378634"
                              z3="-0.004305"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.416652"
                              y3="0.499574"
                              z3="-0.065781"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707655"
                              y3="-2.461878"
                              z3="-0.096442"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092815"
                              y3="1.736553"
                              z3="0.089409"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543976"
                              y3="2.448356"
                              z3="0.022075"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43554"
                              y3="0.864614"
                              z3="-0.088888"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359103"
                              y3="1.213529"
                              z3="0.118544"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.537073"
                              y3="-0.178598"
                              z3="0.086101"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051101"
                              y3="2.81133"
                              z3="0.115013"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.225036"
                              y3="1.856856"
                              z3="0.166428"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.464979"
                              y3="-0.959358"
                              z3="0.022566"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.60135"
                              y3="-1.996978"
                              z3="-0.004668"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.018673"
                              y3="-1.575362"
                              z3="-0.148297"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.875048"
                              y3="-0.865577"
                              z3="0.130525"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.903514"
                              y3="-1.586088"
                              z3="-0.690857"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.902018"
                              y3="-1.462619"
                              z3="1.047376"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082033"
                              y3="0.06223"
                              z3="0.069181"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.997533"
                              y3="-0.528496"
                              z3="0.080079"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.116802"
                              y3="0.7370"
                              z3="0.925719"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.083367"
                              y3="0.659567"
                              z3="-0.844049"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.717735"
                              y3="-3.640345"
                              z3="-0.037159"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.962967"
                              y3="-4.144842"
                              z3="0.757584"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.888581"
                              y3="-4.203355"
                              z3="-0.808872"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.169044"
                              y3="-5.25122"
                              z3="-2.283673"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.499391"
                              y3="-5.813028"
                              z3="-2.680966"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.971838"
                              y3="-5.396849"
                              z3="-2.790332"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.331152"
                              y3="-4.881857"
                              z3="2.398569"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.628357"
                              y3="-5.287362"
                              z3="2.912356"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.128112"
                              y3="-5.369634"
                              z3="2.61744"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174208"
                              y3="-0.897354"
                              z3="-0.087927"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.900704"
                              y3="-1.39856"
                              z3="-0.061537"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.821751"
                              y3="-0.495176"
                              z3="-0.004304"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040132"
                              y3="0.894492"
                              z3="0.024479"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372538"
                              y3="1.37628"
                              z3="-0.004874"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415421"
                              y3="0.496566"
                              z3="-0.059561"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.703303"
                              y3="-2.463169"
                              z3="-0.082548"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092748"
                              y3="1.73599"
                              z3="0.080804"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544874"
                              y3="2.445729"
                              z3="0.017122"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.434739"
                              y3="0.860801"
                              z3="-0.08161"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359694"
                              y3="1.214014"
                              z3="0.109107"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.539376"
                              y3="-0.177729"
                              z3="0.082016"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052368"
                              y3="2.810522"
                              z3="0.101967"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224839"
                              y3="1.858033"
                              z3="0.151965"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.468035"
                              y3="-0.959104"
                              z3="0.024499"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.605177"
                              y3="-1.995699"
                              z3="-0.000913"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.015104"
                              y3="-1.578595"
                              z3="-0.131178"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.878077"
                              y3="-0.863653"
                              z3="0.12461"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.908124"
                              y3="-1.580449"
                              z3="-0.70038"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.905028"
                              y3="-1.464985"
                              z3="1.03867"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.083868"
                              y3="0.065836"
                              z3="0.068182"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.99994"
                              y3="-0.524152"
                              z3="0.08073"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.115114"
                              y3="0.739386"
                              z3="0.926146"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.08722"
                              y3="0.664912"
                              z3="-0.844254"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.720254"
                              y3="-3.638417"
                              z3="-0.032327"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.950313"
                              y3="-4.147088"
                              z3="0.76285"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.88902"
                              y3="-4.204004"
                              z3="-0.802892"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.179006"
                              y3="-5.241967"
                              z3="-2.284027"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.514746"
                              y3="-5.805826"
                              z3="-2.685495"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.984477"
                              y3="-5.382917"
                              z3="-2.785288"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.306807"
                              y3="-4.892011"
                              z3="2.39479"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.605015"
                              y3="-5.29541"
                              z3="2.911065"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.103559"
                              y3="-5.381727"
                              z3="2.611641"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175538"
                              y3="-0.895977"
                              z3="-0.095621"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902261"
                              y3="-1.397606"
                              z3="-0.067119"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.823012"
                              y3="-0.494438"
                              z3="-0.006247"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040868"
                              y3="0.895377"
                              z3="0.023954"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373076"
                              y3="1.377609"
                              z3="-0.007567"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.416217"
                              y3="0.498145"
                              z3="-0.065811"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.70507"
                              y3="-2.462324"
                              z3="-0.088956"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092354"
                              y3="1.736503"
                              z3="0.083961"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545035"
                              y3="2.447187"
                              z3="0.015601"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435381"
                              y3="0.862729"
                              z3="-0.089577"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359028"
                              y3="1.213938"
                              z3="0.114128"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.5380"
                              y3="-0.178021"
                              z3="0.085487"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052257"
                              y3="2.811176"
                              z3="0.106465"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224459"
                              y3="1.85763"
                              z3="0.159769"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466436"
                              y3="-0.959017"
                              z3="0.024661"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.603159"
                              y3="-1.996179"
                              z3="-0.000672"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.016694"
                              y3="-1.576972"
                              z3="-0.141731"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.87631"
                              y3="-0.864566"
                              z3="0.130037"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.90729"
                              y3="-1.580956"
                              z3="-0.695126"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.90133"
                              y3="-1.466345"
                              z3="1.043697"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.08286"
                              y3="0.06415"
                              z3="0.076047"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.998615"
                              y3="-0.526322"
                              z3="0.088912"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.113653"
                              y3="0.736729"
                              z3="0.934726"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.08762"
                              y3="0.664143"
                              z3="-0.835621"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.720296"
                              y3="-3.638764"
                              z3="-0.036096"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.961034"
                              y3="-4.143346"
                              z3="0.758424"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.890258"
                              y3="-4.203857"
                              z3="-0.806632"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.163592"
                              y3="-5.251193"
                              z3="-2.284953"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.494245"
                              y3="-5.814014"
                              z3="-2.680046"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.964134"
                              y3="-5.398232"
                              z3="-2.792907"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.329492"
                              y3="-4.883188"
                              z3="2.39214"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.629667"
                              y3="-5.284683"
                              z3="2.913497"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.126875"
                              y3="-5.374748"
                              z3="2.604705"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.177317"
                              y3="-0.894555"
                              z3="-0.101241"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904439"
                              y3="-1.397107"
                              z3="-0.071393"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.824643"
                              y3="-0.494708"
                              z3="-0.008176"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041545"
                              y3="0.895275"
                              z3="0.023072"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373362"
                              y3="1.378467"
                              z3="-0.009977"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417042"
                              y3="0.499748"
                              z3="-0.070555"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.708004"
                              y3="-2.461983"
                              z3="-0.093594"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092193"
                              y3="1.73557"
                              z3="0.085736"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544602"
                              y3="2.448168"
                              z3="0.013951"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43591"
                              y3="0.865066"
                              z3="-0.095447"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358451"
                              y3="1.212092"
                              z3="0.11748"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.536469"
                              y3="-0.179995"
                              z3="0.087627"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051687"
                              y3="2.810345"
                              z3="0.109059"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224284"
                              y3="1.855143"
                              z3="0.165214"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.464424"
                              y3="-0.960203"
                              z3="0.024191"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.600499"
                              y3="-1.99755"
                              z3="-0.002352"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.018898"
                              y3="-1.574935"
                              z3="-0.149054"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.874204"
                              y3="-0.867575"
                              z3="0.133678"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.905863"
                              y3="-1.583424"
                              z3="-0.691934"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.897435"
                              y3="-1.469982"
                              z3="1.04705"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.081544"
                              y3="0.0603"
                              z3="0.082077"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996845"
                              y3="-0.530867"
                              z3="0.095524"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.111768"
                              y3="0.732049"
                              z3="0.941431"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.08789"
                              y3="0.661134"
                              z3="-0.829036"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.717417"
                              y3="-3.640088"
                              z3="-0.036546"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.969058"
                              y3="-4.141726"
                              z3="0.756543"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.884809"
                              y3="-4.204726"
                              z3="-0.808064"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.154405"
                              y3="-5.253761"
                              z3="-2.285868"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.48171"
                              y3="-5.812408"
                              z3="-2.681996"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.9535"
                              y3="-5.401583"
                              z3="-2.796338"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.351444"
                              y3="-4.873421"
                              z3="2.391523"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.652121"
                              y3="-5.267522"
                              z3="2.9189"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.146413"
                              y3="-5.370672"
                              z3="2.600043"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.180648"
                              y3="-0.891929"
                              z3="-0.113739"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.908666"
                              y3="-1.396358"
                              z3="-0.080068"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827741"
                              y3="-0.495605"
                              z3="-0.011896"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.042681"
                              y3="0.894651"
                              z3="0.02057"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373605"
                              y3="1.379801"
                              z3="-0.016549"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418378"
                              y3="0.502671"
                              z3="-0.082102"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.713888"
                              y3="-2.461521"
                              z3="-0.102507"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092016"
                              y3="1.733234"
                              z3="0.088763"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543311"
                              y3="2.449709"
                              z3="0.008314"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436579"
                              y3="0.86947"
                              z3="-0.110093"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.357325"
                              y3="1.207958"
                              z3="0.124616"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.533401"
                              y3="-0.184304"
                              z3="0.09332"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050386"
                              y3="2.808155"
                              z3="0.113184"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.223887"
                              y3="1.849686"
                              z3="0.176828"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.460503"
                              y3="-0.962896"
                              z3="0.024365"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595213"
                              y3="-2.000363"
                              z3="-0.003162"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.02307"
                              y3="-1.571042"
                              z3="-0.165306"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.869861"
                              y3="-0.873911"
                              z3="0.14371"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.904537"
                              y3="-1.586959"
                              z3="-0.68439"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.887685"
                              y3="-1.479512"
                              z3="1.055272"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.078726"
                              y3="0.052643"
                              z3="0.101231"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.993176"
                              y3="-0.539675"
                              z3="0.117415"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.105387"
                              y3="0.721584"
                              z3="0.962965"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.090545"
                              y3="0.65639"
                              z3="-0.807958"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.708616"
                              y3="-3.64335"
                              z3="-0.042872"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.98519"
                              y3="-4.138074"
                              z3="0.745945"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.868563"
                              y3="-4.207641"
                              z3="-0.816082"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.127825"
                              y3="-5.264318"
                              z3="-2.289824"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.447524"
                              y3="-5.814572"
                              z3="-2.685012"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.922628"
                              y3="-5.416238"
                              z3="-2.805492"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.405998"
                              y3="-4.844857"
                              z3="2.386905"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.711411"
                              y3="-5.22031"
                              z3="2.933799"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.194236"
                              y3="-5.357948"
                              z3="2.58138"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.178133"
                              y3="-0.894974"
                              z3="-0.106527"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.905612"
                              y3="-1.398142"
                              z3="-0.075522"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825402"
                              y3="-0.496353"
                              z3="-0.010986"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041637"
                              y3="0.893684"
                              z3="0.020495"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373101"
                              y3="1.37752"
                              z3="-0.013578"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417155"
                              y3="0.499381"
                              z3="-0.075589"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.709825"
                              y3="-2.463089"
                              z3="-0.097792"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092368"
                              y3="1.733385"
                              z3="0.084546"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543781"
                              y3="2.447256"
                              z3="0.01061"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435759"
                              y3="0.865173"
                              z3="-0.10138"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358243"
                              y3="1.209357"
                              z3="0.117052"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.535598"
                              y3="-0.182725"
                              z3="0.086711"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051022"
                              y3="2.80816"
                              z3="0.108315"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224269"
                              y3="1.851941"
                              z3="0.166062"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.463324"
                              y3="-0.962401"
                              z3="0.022365"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598847"
                              y3="-1.999721"
                              z3="-0.004033"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.019984"
                              y3="-1.574913"
                              z3="-0.155495"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.872845"
                              y3="-0.871021"
                              z3="0.132433"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.909309"
                              y3="-1.575804"
                              z3="-0.702578"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890374"
                              y3="-1.485508"
                              z3="1.037793"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.080575"
                              y3="0.057307"
                              z3="0.100199"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.995744"
                              y3="-0.533891"
                              z3="0.115373"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.103347"
                              y3="0.720411"
                              z3="0.966515"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.094735"
                              y3="0.667205"
                              z3="-0.8048"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.713412"
                              y3="-3.642505"
                              z3="-0.039531"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.976217"
                              y3="-4.141047"
                              z3="0.751293"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.872752"
                              y3="-4.20792"
                              z3="-0.812182"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.135511"
                              y3="-5.256293"
                              z3="-2.290083"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.458656"
                              y3="-5.810846"
                              z3="-2.68487"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.931907"
                              y3="-5.407118"
                              z3="-2.803332"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.381603"
                              y3="-4.856784"
                              z3="2.390472"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.687384"
                              y3="-5.226825"
                              z3="2.941513"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.169689"
                              y3="-5.368329"
                              z3="2.58806"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175351"
                              y3="-0.897971"
                              z3="-0.097085"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902128"
                              y3="-1.399623"
                              z3="-0.070674"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822743"
                              y3="-0.496548"
                              z3="-0.01245"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040612"
                              y3="0.893226"
                              z3="0.017583"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372823"
                              y3="1.375456"
                              z3="-0.011407"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.416003"
                              y3="0.496092"
                              z3="-0.067393"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.704998"
                              y3="-2.464267"
                              z3="-0.092343"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092577"
                              y3="1.734299"
                              z3="0.075353"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544723"
                              y3="2.444981"
                              z3="0.011776"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435153"
                              y3="0.860663"
                              z3="-0.089383"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359258"
                              y3="1.211789"
                              z3="0.103057"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.538177"
                              y3="-0.180073"
                              z3="0.074046"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052039"
                              y3="2.808895"
                              z3="0.098229"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224662"
                              y3="1.855437"
                              z3="0.147662"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466612"
                              y3="-0.961114"
                              z3="0.016265"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.603236"
                              y3="-1.998344"
                              z3="-0.008184"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.016521"
                              y3="-1.578916"
                              z3="-0.141401"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.876523"
                              y3="-0.86688"
                              z3="0.111677"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.920143"
                              y3="-1.548861"
                              z3="-0.741798"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889105"
                              y3="-1.505545"
                              z3="0.999863"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082513"
                              y3="0.063934"
                              z3="0.111919"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.998599"
                              y3="-0.525893"
                              z3="0.127565"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.09249"
                              y3="0.710884"
                              z3="0.990626"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.107286"
                              y3="0.69061"
                              z3="-0.781294"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.718377"
                              y3="-3.640838"
                              z3="-0.035008"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.967153"
                              y3="-4.142521"
                              z3="0.7586"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.873207"
                              y3="-4.210975"
                              z3="-0.805057"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.136489"
                              y3="-5.248507"
                              z3="-2.289282"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.465407"
                              y3="-5.813745"
                              z3="-2.678156"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.935179"
                              y3="-5.401699"
                              z3="-2.79762"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.361549"
                              y3="-4.87266"
                              z3="2.391613"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.672817"
                              y3="-5.227081"
                              z3="2.959311"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.147038"
                              y3="-5.389634"
                              z3="2.584917"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174635"
                              y3="-0.89898"
                              z3="-0.094988"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90119"
                              y3="-1.400129"
                              z3="-0.06916"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82202"
                              y3="-0.496552"
                              z3="-0.013778"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040427"
                              y3="0.893199"
                              z3="0.014317"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.372879"
                              y3="1.374901"
                              z3="-0.013946"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415795"
                              y3="0.495065"
                              z3="-0.067381"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.703623"
                              y3="-2.464729"
                              z3="-0.089241"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092496"
                              y3="1.734778"
                              z3="0.069623"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545165"
                              y3="2.444405"
                              z3="0.007682"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435121"
                              y3="0.859231"
                              z3="-0.088912"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359388"
                              y3="1.21273"
                              z3="0.096659"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.538752"
                              y3="-0.179146"
                              z3="0.069075"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052499"
                              y3="2.809362"
                              z3="0.091172"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224585"
                              y3="1.856745"
                              z3="0.139657"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.467473"
                              y3="-0.960679"
                              z3="0.013941"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.604555"
                              y3="-1.998222"
                              z3="-0.009326"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.015618"
                              y3="-1.580303"
                              z3="-0.13726"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.877449"
                              y3="-0.865513"
                              z3="0.103325"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.926665"
                              y3="-1.532036"
                              z3="-0.762139"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885334"
                              y3="-1.520113"
                              z3="0.979807"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082667"
                              y3="0.06604"
                              z3="0.126758"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.999047"
                              y3="-0.523299"
                              z3="0.143797"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.083412"
                              y3="0.702038"
                              z3="1.01355"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.115832"
                              y3="0.703767"
                              z3="-0.758329"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.720111"
                              y3="-3.640571"
                              z3="-0.033758"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.969199"
                              y3="-4.142016"
                              z3="0.759702"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.870651"
                              y3="-4.211875"
                              z3="-0.804208"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.125775"
                              y3="-5.24907"
                              z3="-2.289561"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.454597"
                              y3="-5.818451"
                              z3="-2.67228"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.92341"
                              y3="-5.404232"
                              z3="-2.798807"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.368452"
                              y3="-4.875275"
                              z3="2.389809"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.684818"
                              y3="-5.214126"
                              z3="2.972369"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.149603"
                              y3="-5.402374"
                              z3="2.57336"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175186"
                              y3="-0.897537"
                              z3="-0.093555"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.901779"
                              y3="-1.398849"
                              z3="-0.068062"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822423"
                              y3="-0.495321"
                              z3="-0.013917"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.040604"
                              y3="0.894526"
                              z3="0.013325"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373024"
                              y3="1.376396"
                              z3="-0.014676"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41612"
                              y3="0.496613"
                              z3="-0.066897"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.704369"
                              y3="-2.463522"
                              z3="-0.087369"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.09251"
                              y3="1.736024"
                              z3="0.067758"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545142"
                              y3="2.44598"
                              z3="0.006238"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435421"
                              y3="0.860908"
                              z3="-0.088164"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.359365"
                              y3="1.213809"
                              z3="0.094802"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.538533"
                              y3="-0.178152"
                              z3="0.067909"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052309"
                              y3="2.810681"
                              z3="0.088709"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.2247"
                              y3="1.857775"
                              z3="0.13722"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.467072"
                              y3="-0.959606"
                              z3="0.013569"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.603946"
                              y3="-1.99726"
                              z3="-0.008715"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.016309"
                              y3="-1.578821"
                              z3="-0.134806"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.877286"
                              y3="-0.864561"
                              z3="0.10168"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.927148"
                              y3="-1.529411"
                              z3="-0.765324"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884756"
                              y3="-1.521064"
                              z3="0.976989"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.082429"
                              y3="0.067265"
                              z3="0.127551"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.9989"
                              y3="-0.521955"
                              z3="0.144481"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.082261"
                              y3="0.701965"
                              z3="1.015375"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.116369"
                              y3="0.706327"
                              z3="-0.756584"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.719247"
                              y3="-3.639626"
                              z3="-0.032248"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.967004"
                              y3="-4.14196"
                              z3="0.761215"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.869341"
                              y3="-4.211069"
                              z3="-0.802627"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.12731"
                              y3="-5.249166"
                              z3="-2.287352"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.459872"
                              y3="-5.825371"
                              z3="-2.666614"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.926568"
                              y3="-5.403454"
                              z3="-2.794492"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.367933"
                              y3="-4.881939"
                              z3="2.388692"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.685689"
                              y3="-5.225147"
                              z3="2.970241"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.149748"
                              y3="-5.409909"
                              z3="2.567177"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.175946"
                              y3="-0.895744"
                              z3="-0.096638"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902609"
                              y3="-1.397278"
                              z3="-0.068236"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.823126"
                              y3="-0.4938"
                              z3="-0.014732"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041135"
                              y3="0.896194"
                              z3="0.009153"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373485"
                              y3="1.378289"
                              z3="-0.02202"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.416692"
                              y3="0.498568"
                              z3="-0.073698"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705328"
                              y3="-2.462062"
                              z3="-0.084591"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092067"
                              y3="1.737601"
                              z3="0.063738"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545478"
                              y3="2.447985"
                              z3="-0.00387"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435939"
                              y3="0.86304"
                              z3="-0.097323"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358835"
                              y3="1.215173"
                              z3="0.094171"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.537831"
                              y3="-0.176921"
                              z3="0.07014"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05263"
                              y3="2.812357"
                              z3="0.082159"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224241"
                              y3="1.859072"
                              z3="0.136819"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466296"
                              y3="-0.958286"
                              z3="0.015509"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.60331"
                              y3="-1.996314"
                              z3="-0.005063"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.017174"
                              y3="-1.576968"
                              z3="-0.137298"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.876577"
                              y3="-0.863555"
                              z3="0.106897"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.929024"
                              y3="-1.527377"
                              z3="-0.761037"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.881748"
                              y3="-1.521341"
                              z3="0.981558"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.081563"
                              y3="0.068378"
                              z3="0.137185"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.99798"
                              y3="-0.52098"
                              z3="0.156488"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.07852"
                              y3="0.702452"
                              z3="1.025571"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.118311"
                              y3="0.708203"
                              z3="-0.746416"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.717499"
                              y3="-3.638555"
                              z3="-0.028041"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.97361"
                              y3="-4.140616"
                              z3="0.763333"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.868691"
                              y3="-4.20809"
                              z3="-0.800014"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.112543"
                              y3="-5.254669"
                              z3="-2.283019"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.440584"
                              y3="-5.830959"
                              z3="-2.654079"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.906331"
                              y3="-5.407572"
                              z3="-2.79967"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.388997"
                              y3="-4.886967"
                              z3="2.38202"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.709232"
                              y3="-5.236753"
                              z3="2.962463"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.17105"
                              y3="-5.417935"
                              z3="2.550071"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17922"
                              y3="-0.892318"
                              z3="-0.094159"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.906578"
                              y3="-1.395426"
                              z3="-0.065277"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825802"
                              y3="-0.493183"
                              z3="-0.013047"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041806"
                              y3="0.897187"
                              z3="0.008933"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373489"
                              y3="1.380939"
                              z3="-0.022639"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417965"
                              y3="0.502409"
                              z3="-0.07301"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.710824"
                              y3="-2.460553"
                              z3="-0.080323"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092605"
                              y3="1.737228"
                              z3="0.061884"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543941"
                              y3="2.450931"
                              z3="-0.005974"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436708"
                              y3="0.868131"
                              z3="-0.09701"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358666"
                              y3="1.213213"
                              z3="0.09229"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.535689"
                              y3="-0.179148"
                              z3="0.069907"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050548"
                              y3="2.812234"
                              z3="0.07885"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224994"
                              y3="1.856085"
                              z3="0.133471"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.462971"
                              y3="-0.959253"
                              z3="0.017328"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598373"
                              y3="-1.997399"
                              z3="-0.002542"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.021447"
                              y3="-1.572569"
                              z3="-0.133943"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.873455"
                              y3="-0.867542"
                              z3="0.106002"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.924389"
                              y3="-1.531272"
                              z3="-0.762086"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.878096"
                              y3="-1.525522"
                              z3="0.980482"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.079922"
                              y3="0.062662"
                              z3="0.135699"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.995528"
                              y3="-0.527917"
                              z3="0.154372"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.078316"
                              y3="0.696688"
                              z3="1.024141"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.117144"
                              y3="0.702428"
                              z3="-0.747888"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.713351"
                              y3="-3.640254"
                              z3="-0.026921"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.971592"
                              y3="-4.143283"
                              z3="0.763221"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.860564"
                              y3="-4.208589"
                              z3="-0.799956"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.12163"
                              y3="-5.244781"
                              z3="-2.28688"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.461871"
                              y3="-5.835949"
                              z3="-2.656918"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.921031"
                              y3="-5.390596"
                              z3="-2.79711"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.393324"
                              y3="-4.883956"
                              z3="2.387534"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.714512"
                              y3="-5.239019"
                              z3="2.966233"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.175606"
                              y3="-5.417038"
                              z3="2.546867"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.177677"
                              y3="-0.894486"
                              z3="-0.096308"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904769"
                              y3="-1.396879"
                              z3="-0.066825"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82463"
                              y3="-0.4941"
                              z3="-0.014507"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041514"
                              y3="0.896093"
                              z3="0.007052"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373453"
                              y3="1.379094"
                              z3="-0.025056"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417314"
                              y3="0.500041"
                              z3="-0.075572"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.708373"
                              y3="-2.461853"
                              z3="-0.081531"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092328"
                              y3="1.73673"
                              z3="0.060299"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544594"
                              y3="2.448944"
                              z3="-0.00863"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436247"
                              y3="0.865198"
                              z3="-0.099978"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358683"
                              y3="1.213432"
                              z3="0.091444"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.536594"
                              y3="-0.178783"
                              z3="0.069675"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051496"
                              y3="2.811621"
                              z3="0.077028"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224575"
                              y3="1.856761"
                              z3="0.133082"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.464393"
                              y3="-0.959446"
                              z3="0.016595"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.600454"
                              y3="-1.997397"
                              z3="-0.00228"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.019411"
                              y3="-1.575165"
                              z3="-0.136173"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.874696"
                              y3="-0.866436"
                              z3="0.106966"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.928003"
                              y3="-1.527676"
                              z3="-0.762752"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.8778"
                              y3="-1.526737"
                              z3="0.979536"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.080428"
                              y3="0.064313"
                              z3="0.141939"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996277"
                              y3="-0.525808"
                              z3="0.162468"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.075647"
                              y3="0.696784"
                              z3="1.031413"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.120009"
                              y3="0.705634"
                              z3="-0.740394"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.715755"
                              y3="-3.639765"
                              z3="-0.025618"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.975322"
                              y3="-4.141854"
                              z3="0.764395"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.863593"
                              y3="-4.208322"
                              z3="-0.798605"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.110787"
                              y3="-5.24752"
                              z3="-2.285702"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.441993"
                              y3="-5.827883"
                              z3="-2.656093"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.904229"
                              y3="-5.395102"
                              z3="-2.80441"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.400104"
                              y3="-4.883879"
                              z3="2.385124"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.721941"
                              y3="-5.232801"
                              z3="2.968307"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.181165"
                              y3="-5.418187"
                              z3="2.546639"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.177206"
                              y3="-0.895548"
                              z3="-0.097695"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904277"
                              y3="-1.397774"
                              z3="-0.066592"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.824263"
                              y3="-0.494837"
                              z3="-0.015221"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041333"
                              y3="0.895343"
                              z3="0.00387"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373294"
                              y3="1.378158"
                              z3="-0.029817"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417021"
                              y3="0.498954"
                              z3="-0.079472"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707761"
                              y3="-2.462725"
                              z3="-0.079397"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092353"
                              y3="1.736182"
                              z3="0.056425"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544559"
                              y3="2.447996"
                              z3="-0.015273"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43597"
                              y3="0.863971"
                              z3="-0.105101"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358735"
                              y3="1.213086"
                              z3="0.089204"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.53682"
                              y3="-0.179127"
                              z3="0.069824"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051625"
                              y3="2.81106"
                              z3="0.071327"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224504"
                              y3="1.856562"
                              z3="0.130447"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.464782"
                              y3="-0.959994"
                              z3="0.017452"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.601014"
                              y3="-1.997966"
                              z3="0.000205"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.018825"
                              y3="-1.576359"
                              z3="-0.13688"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.874997"
                              y3="-0.86653"
                              z3="0.108402"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.931264"
                              y3="-1.523586"
                              z3="-0.76432"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.87559"
                              y3="-1.530934"
                              z3="0.977791"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.080284"
                              y3="0.064441"
                              z3="0.151445"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996188"
                              y3="-0.52548"
                              z3="0.174362"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.071251"
                              y3="0.694334"
                              z3="1.042721"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.123719"
                              y3="0.708325"
                              z3="-0.728841"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.715375"
                              y3="-3.640294"
                              z3="-0.023454"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.979502"
                              y3="-4.142306"
                              z3="0.765123"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.861758"
                              y3="-4.207997"
                              z3="-0.797444"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.098263"
                              y3="-5.246844"
                              z3="-2.286276"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.425091"
                              y3="-5.824082"
                              z3="-2.653359"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.88642"
                              y3="-5.392679"
                              z3="-2.813352"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.41325"
                              y3="-4.881988"
                              z3="2.383362"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.737717"
                              y3="-5.22654"
                              z3="2.972276"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.192558"
                              y3="-5.420251"
                              z3="2.539786"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.177379"
                              y3="-0.895153"
                              z3="-0.097642"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904469"
                              y3="-1.397527"
                              z3="-0.068581"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.824364"
                              y3="-0.494794"
                              z3="-0.014888"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04127"
                              y3="0.895345"
                              z3="0.008436"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373203"
                              y3="1.378325"
                              z3="-0.023242"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417045"
                              y3="0.499307"
                              z3="-0.075103"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.708089"
                              y3="-2.462467"
                              z3="-0.084648"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092538"
                              y3="1.735988"
                              z3="0.062798"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544345"
                              y3="2.448135"
                              z3="-0.00546"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435976"
                              y3="0.864449"
                              z3="-0.09923"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358911"
                              y3="1.212755"
                              z3="0.093221"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.536876"
                              y3="-0.179398"
                              z3="0.069673"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051326"
                              y3="2.810835"
                              z3="0.080889"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224771"
                              y3="1.856092"
                              z3="0.135591"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.464691"
                              y3="-0.960076"
                              z3="0.015744"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.600775"
                              y3="-1.997765"
                              z3="-0.004476"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01908"
                              y3="-1.575815"
                              z3="-0.138581"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.875005"
                              y3="-0.8669"
                              z3="0.106343"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.927232"
                              y3="-1.529678"
                              z3="-0.762291"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.879191"
                              y3="-1.525646"
                              z3="0.980095"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.080741"
                              y3="0.064033"
                              z3="0.138347"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996699"
                              y3="-0.525894"
                              z3="0.157585"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.077636"
                              y3="0.697112"
                              z3="1.027387"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.118523"
                              y3="0.704707"
                              z3="-0.744511"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.715981"
                              y3="-3.640182"
                              z3="-0.025113"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.974207"
                              y3="-4.14173"
                              z3="0.765692"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.863924"
                              y3="-4.209621"
                              z3="-0.7972"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.111701"
                              y3="-5.244037"
                              z3="-2.286981"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.44541"
                              y3="-5.827574"
                              z3="-2.656588"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.905966"
                              y3="-5.390608"
                              z3="-2.804644"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.396014"
                              y3="-4.881965"
                              z3="2.387492"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.717109"
                              y3="-5.231704"
                              z3="2.96955"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.177945"
                              y3="-5.413981"
                              z3="2.551863"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.178781"
                              y3="-0.892532"
                              z3="-0.106078"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.906133"
                              y3="-1.395783"
                              z3="-0.080326"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825636"
                              y3="-0.494096"
                              z3="-0.016379"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.041793"
                              y3="0.895893"
                              z3="0.02036"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373448"
                              y3="1.379824"
                              z3="-0.008507"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41771"
                              y3="0.501812"
                              z3="-0.070348"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.710364"
                              y3="-2.460684"
                              z3="-0.106095"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092447"
                              y3="1.735424"
                              z3="0.084168"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54404"
                              y3="2.449535"
                              z3="0.019343"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436434"
                              y3="0.867681"
                              z3="-0.092366"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.358553"
                              y3="1.21129"
                              z3="0.110912"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.535841"
                              y3="-0.180662"
                              z3="0.073697"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050846"
                              y3="2.810155"
                              z3="0.112347"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224748"
                              y3="1.853803"
                              z3="0.159886"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.46322"
                              y3="-0.960244"
                              z3="0.010861"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598761"
                              y3="-1.997536"
                              z3="-0.019702"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.020816"
                              y3="-1.572386"
                              z3="-0.154671"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.873518"
                              y3="-0.869168"
                              z3="0.107452"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.915838"
                              y3="-1.547931"
                              z3="-0.7494"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.886064"
                              y3="-1.51194"
                              z3="0.993329"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.080626"
                              y3="0.060857"
                              z3="0.110429"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996246"
                              y3="-0.529849"
                              z3="0.120145"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.093348"
                              y3="0.702487"
                              z3="0.993355"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.103929"
                              y3="0.693013"
                              z3="-0.779155"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.715783"
                              y3="-3.639981"
                              z3="-0.031912"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.967748"
                              y3="-4.137454"
                              z3="0.763296"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.867375"
                              y3="-4.213813"
                              z3="-0.799672"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.13219"
                              y3="-5.245834"
                              z3="-2.288602"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.47914"
                              y3="-5.845191"
                              z3="-2.657132"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.93865"
                              y3="-5.399784"
                              z3="-2.78498"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.375389"
                              y3="-4.871325"
                              z3="2.392473"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.690383"
                              y3="-5.228721"
                              z3="2.962711"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.161504"
                              y3="-5.392291"
                              z3="2.572089"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.179809"
                              y3="-0.890772"
                              z3="-0.121504"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.907544"
                              y3="-1.394965"
                              z3="-0.096862"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.826789"
                              y3="-0.494593"
                              z3="-0.020096"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.042263"
                              y3="0.895045"
                              z3="0.030475"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37351"
                              y3="1.379999"
                              z3="0.002177"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418046"
                              y3="0.503252"
                              z3="-0.072216"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.712357"
                              y3="-2.459682"
                              z3="-0.132501"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.092249"
                              y3="1.733235"
                              z3="0.106685"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543586"
                              y3="2.449459"
                              z3="0.040533"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436465"
                              y3="0.869906"
                              z3="-0.093819"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.35792"
                              y3="1.208136"
                              z3="0.132226"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.534556"
                              y3="-0.183456"
                              z3="0.081011"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050508"
                              y3="2.807699"
                              z3="0.145415"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.224331"
                              y3="1.849623"
                              z3="0.190363"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.461731"
                              y3="-0.961703"
                              z3="0.006105"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596728"
                              y3="-1.998598"
                              z3="-0.034483"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.022049"
                              y3="-1.569627"
                              z3="-0.179737"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.871663"
                              y3="-0.872942"
                              z3="0.115067"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.907194"
                              y3="-1.565588"
                              z3="-0.730945"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889807"
                              y3="-1.50132"
                              z3="1.011472"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.079632"
                              y3="0.055976"
                              z3="0.095322"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.994781"
                              y3="-0.535472"
                              z3="0.097835"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.104714"
                              y3="0.704257"
                              z3="0.973137"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.091625"
                              y3="0.681388"
                              z3="-0.799319"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.712631"
                              y3="-3.641535"
                              z3="-0.043537"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.969079"
                              y3="-4.132114"
                              z3="0.754368"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.864304"
                              y3="-4.219675"
                              z3="-0.807914"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.132293"
                              y3="-5.255426"
                              z3="-2.294294"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.484619"
                              y3="-5.864929"
                              z3="-2.655354"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.944611"
                              y3="-5.420027"
                              z3="-2.777317"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.3814"
                              y3="-4.843131"
                              z3="2.3936"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.694873"
                              y3="-5.196471"
                              z3="2.964879"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.167482"
                              y3="-5.361379"
                              z3="2.580757"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.181083"
                              y3="-0.888875"
                              z3="-0.135966"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.909277"
                              y3="-1.39419"
                              z3="-0.11003"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828252"
                              y3="-0.495228"
                              z3="-0.022758"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.042946"
                              y3="0.894115"
                              z3="0.037002"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373704"
                              y3="1.38027"
                              z3="0.006955"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418527"
                              y3="0.504893"
                              z3="-0.077754"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.714693"
                              y3="-2.458752"
                              z3="-0.152172"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091878"
                              y3="1.73083"
                              z3="0.123597"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543213"
                              y3="2.449521"
                              z3="0.052295"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436585"
                              y3="0.872481"
                              z3="-0.100701"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.356984"
                              y3="1.204529"
                              z3="0.150571"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.5328"
                              y3="-0.186839"
                              z3="0.090241"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050253"
                              y3="2.805081"
                              z3="0.169275"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.223645"
                              y3="1.844846"
                              z3="0.216478"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45982"
                              y3="-0.963564"
                              z3="0.004804"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.594137"
                              y3="-2.00033"
                              z3="-0.04253"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.023546"
                              y3="-1.566633"
                              z3="-0.202148"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.869167"
                              y3="-0.877515"
                              z3="0.127841"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.899849"
                              y3="-1.583666"
                              z3="-0.706995"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890867"
                              y3="-1.491352"
                              z3="1.034364"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.078066"
                              y3="0.049751"
                              z3="0.088112"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.992485"
                              y3="-0.542869"
                              z3="0.087303"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.112666"
                              y3="0.705948"
                              z3="0.959776"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.081937"
                              y3="0.667165"
                              z3="-0.812272"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.707955"
                              y3="-3.643878"
                              z3="-0.054683"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.974114"
                              y3="-4.128343"
                              z3="0.743748"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.857093"
                              y3="-4.224871"
                              z3="-0.817618"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.12438"
                              y3="-5.264053"
                              z3="-2.302422"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.479678"
                              y3="-5.882158"
                              z3="-2.653795"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.938849"
                              y3="-5.435213"
                              z3="-2.779277"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.400767"
                              y3="-4.813562"
                              z3="2.391499"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.715468"
                              y3="-5.158137"
                              z3="2.969796"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.184774"
                              y3="-5.334831"
                              z3="2.578994"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.180325"
                              y3="-0.889888"
                              z3="-0.134873"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.908383"
                              y3="-1.394844"
                              z3="-0.108138"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827623"
                              y3="-0.495486"
                              z3="-0.022667"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.042703"
                              y3="0.893886"
                              z3="0.034487"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373586"
                              y3="1.379656"
                              z3="0.003797"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41816"
                              y3="0.503894"
                              z3="-0.079142"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.713487"
                              y3="-2.459404"
                              z3="-0.148474"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091888"
                              y3="1.731013"
                              z3="0.119317"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543404"
                              y3="2.448921"
                              z3="0.047242"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436316"
                              y3="0.871189"
                              z3="-0.102572"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.35711"
                              y3="1.205059"
                              z3="0.147171"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.533293"
                              y3="-0.18639"
                              z3="0.089754"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050545"
                              y3="2.805293"
                              z3="0.162984"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.223593"
                              y3="1.845664"
                              z3="0.211857"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.460565"
                              y3="-0.963485"
                              z3="0.0058"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59515"
                              y3="-2.000375"
                              z3="-0.039139"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.022593"
                              y3="-1.567945"
                              z3="-0.199762"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.869858"
                              y3="-0.876622"
                              z3="0.128578"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.90228"
                              y3="-1.581112"
                              z3="-0.707422"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890273"
                              y3="-1.492047"
                              z3="1.033886"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.078431"
                              y3="0.051101"
                              z3="0.092575"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.993089"
                              y3="-0.541182"
                              z3="0.094191"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.110201"
                              y3="0.707029"
                              z3="0.964481"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.084662"
                              y3="0.668816"
                              z3="-0.807558"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.708296"
                              y3="-3.643894"
                              z3="-0.052677"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.974464"
                              y3="-4.1295"
                              z3="0.745141"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.856852"
                              y3="-4.223923"
                              z3="-0.816642"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.11829"
                              y3="-5.259698"
                              z3="-2.304246"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.474029"
                              y3="-5.882032"
                              z3="-2.648687"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.930109"
                              y3="-5.428191"
                              z3="-2.786548"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.403355"
                              y3="-4.818736"
                              z3="2.390644"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.72054"
                              y3="-5.158876"
                              z3="2.974363"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.186099"
                              y3="-5.343322"
                              z3="2.573807"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.181618"
                              y3="-0.888885"
                              z3="-0.137066"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.910015"
                              y3="-1.394562"
                              z3="-0.105576"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828968"
                              y3="-0.495609"
                              z3="-0.021285"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043364"
                              y3="0.894082"
                              z3="0.029782"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373897"
                              y3="1.380589"
                              z3="-0.005554"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418783"
                              y3="0.505216"
                              z3="-0.08723"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.715626"
                              y3="-2.459363"
                              z3="-0.141496"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091553"
                              y3="1.730751"
                              z3="0.113512"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543229"
                              y3="2.45009"
                              z3="0.033396"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436686"
                              y3="0.873077"
                              z3="-0.114156"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.356371"
                              y3="1.204042"
                              z3="0.14629"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.531793"
                              y3="-0.187798"
                              z3="0.095688"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050342"
                              y3="2.80528"
                              z3="0.152405"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.223108"
                              y3="1.844265"
                              z3="0.210134"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458857"
                              y3="-0.964389"
                              z3="0.012145"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.592966"
                              y3="-2.00173"
                              z3="-0.02744"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.024137"
                              y3="-1.566588"
                              z3="-0.20117"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.867689"
                              y3="-0.878864"
                              z3="0.142296"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.898837"
                              y3="-1.594146"
                              z3="-0.684142"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.888072"
                              y3="-1.482251"
                              z3="1.055465"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.077209"
                              y3="0.046884"
                              z3="0.093723"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.991243"
                              y3="-0.546382"
                              z3="0.100014"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.111619"
                              y3="0.712208"
                              z3="0.958189"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.082131"
                              y3="0.654696"
                              z3="-0.812995"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.706295"
                              y3="-3.644656"
                              z3="-0.046735"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.978922"
                              y3="-4.132325"
                              z3="0.747741"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.854872"
                              y3="-4.220272"
                              z3="-0.814437"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.109621"
                              y3="-5.246253"
                              z3="-2.308783"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.466546"
                              y3="-5.875425"
                              z3="-2.642763"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.915883"
                              y3="-5.405074"
                              z3="-2.804011"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.421704"
                              y3="-4.825873"
                              z3="2.386229"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.744144"
                              y3="-5.159415"
                              z3="2.979478"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.202528"
                              y3="-5.356749"
                              z3="2.559878"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.181908"
                              y3="-0.888518"
                              z3="-0.140973"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.910457"
                              y3="-1.394467"
                              z3="-0.1078"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.829353"
                              y3="-0.495794"
                              z3="-0.021157"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043547"
                              y3="0.893907"
                              z3="0.030383"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.373918"
                              y3="1.380698"
                              z3="-0.006776"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418867"
                              y3="0.505585"
                              z3="-0.09062"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.716274"
                              y3="-2.45929"
                              z3="-0.144147"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.091401"
                              y3="1.73035"
                              z3="0.116154"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543077"
                              y3="2.450211"
                              z3="0.032504"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436652"
                              y3="0.87366"
                              z3="-0.118936"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.356068"
                              y3="1.203436"
                              z3="0.150497"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.531314"
                              y3="-0.188408"
                              z3="0.099603"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05037"
                              y3="2.804876"
                              z3="0.155269"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.222836"
                              y3="1.843491"
                              z3="0.215721"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458365"
                              y3="-0.964791"
                              z3="0.014043"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.592444"
                              y3="-2.002096"
                              z3="-0.026761"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.024453"
                              y3="-1.566027"
                              z3="-0.206839"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.867003"
                              y3="-0.879637"
                              z3="0.149149"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.896024"
                              y3="-1.602417"
                              z3="-0.67059"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889215"
                              y3="-1.474544"
                              z3="1.067821"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.076712"
                              y3="0.04504"
                              z3="0.089745"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.990425"
                              y3="-0.548708"
                              z3="0.096991"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.114774"
                              y3="0.716386"
                              z3="0.949291"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.078453"
                              y3="0.646456"
                              z3="-0.821247"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.705252"
                              y3="-3.644901"
                              z3="-0.046502"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.980045"
                              y3="-4.13204"
                              z3="0.74748"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.854378"
                              y3="-4.219923"
                              z3="-0.81448"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.10579"
                              y3="-5.242803"
                              z3="-2.311248"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.4646"
                              y3="-5.875691"
                              z3="-2.641888"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.911731"
                              y3="-5.400915"
                              z3="-2.807442"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.427247"
                              y3="-4.825435"
                              z3="2.385067"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.751431"
                              y3="-5.157489"
                              z3="2.981016"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.208666"
                              y3="-5.355633"
                              z3="2.558201"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.185033"
                              y3="-0.88467"
                              z3="-0.164534"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.914734"
                              y3="-1.392878"
                              z3="-0.122683"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.832987"
                              y3="-0.496351"
                              z3="-0.02248"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045242"
                              y3="0.893485"
                              z3="0.033498"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374379"
                              y3="1.382654"
                              z3="-0.013141"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.420053"
                              y3="0.509592"
                              z3="-0.10998"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.722136"
                              y3="-2.457912"
                              z3="-0.161832"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.090422"
                              y3="1.727768"
                              z3="0.132496"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54208"
                              y3="2.452297"
                              z3="0.029396"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436934"
                              y3="0.879493"
                              z3="-0.145488"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.353812"
                              y3="1.198649"
                              z3="0.175453"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52714"
                              y3="-0.193381"
                              z3="0.120399"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049879"
                              y3="2.802394"
                              z3="0.174757"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.221162"
                              y3="1.837033"
                              z3="0.250152"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.453718"
                              y3="-0.967612"
                              z3="0.021606"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.586534"
                              y3="-2.004855"
                              z3="-0.024025"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.028094"
                              y3="-1.560537"
                              z3="-0.2406"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861056"
                              y3="-0.886626"
                              z3="0.184359"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.879771"
                              y3="-1.644014"
                              z3="-0.603449"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890771"
                              y3="-1.441305"
                              z3="1.127971"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.072769"
                              y3="0.031008"
                              z3="0.074676"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984404"
                              y3="-0.56584"
                              z3="0.083758"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129752"
                              y3="0.728108"
                              z3="0.912233"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.059135"
                              y3="0.604289"
                              z3="-0.85415"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.695781"
                              y3="-3.647606"
                              z3="-0.047439"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.989907"
                              y3="-4.130391"
                              z3="0.742148"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.844748"
                              y3="-4.219242"
                              z3="-0.817958"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.08546"
                              y3="-5.233712"
                              z3="-2.321662"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.449933"
                              y3="-5.879173"
                              z3="-2.638663"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.88947"
                              y3="-5.388807"
                              z3="-2.822095"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.471421"
                              y3="-4.80744"
                              z3="2.377519"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.805943"
                              y3="-5.130563"
                              z3="2.989685"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.253744"
                              y3="-5.339284"
                              z3="2.541603"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187861"
                              y3="-0.880997"
                              z3="-0.178968"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.918553"
                              y3="-1.391141"
                              z3="-0.130414"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836128"
                              y3="-0.496335"
                              z3="-0.022659"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046588"
                              y3="0.893699"
                              z3="0.034121"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374652"
                              y3="1.384912"
                              z3="-0.019747"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421072"
                              y3="0.513505"
                              z3="-0.123961"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.727359"
                              y3="-2.456423"
                              z3="-0.169603"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089819"
                              y3="1.726177"
                              z3="0.140884"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54102"
                              y3="2.454736"
                              z3="0.023263"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43717"
                              y3="0.884986"
                              z3="-0.164972"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.35204"
                              y3="1.195076"
                              z3="0.190649"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.523569"
                              y3="-0.197247"
                              z3="0.134752"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049107"
                              y3="2.800954"
                              z3="0.183621"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219981"
                              y3="1.832014"
                              z3="0.270986"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449682"
                              y3="-0.96964"
                              z3="0.027994"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.581061"
                              y3="-2.007049"
                              z3="-0.019639"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.031486"
                              y3="-1.55552"
                              z3="-0.260739"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.856071"
                              y3="-0.892058"
                              z3="0.208622"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.868564"
                              y3="-1.670391"
                              z3="-0.558501"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890073"
                              y3="-1.420974"
                              z3="1.166998"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069141"
                              y3="0.019961"
                              z3="0.067882"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.979287"
                              y3="-0.579123"
                              z3="0.079873"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136995"
                              y3="0.733783"
                              z3="0.890442"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.047056"
                              y3="0.574413"
                              z3="-0.872229"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.686824"
                              y3="-3.65048"
                              z3="-0.047386"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.997228"
                              y3="-4.129564"
                              z3="0.73824"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.835075"
                              y3="-4.219212"
                              z3="-0.82007"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.072421"
                              y3="-5.228058"
                              z3="-2.327781"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.438993"
                              y3="-5.878267"
                              z3="-2.639426"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.875242"
                              y3="-5.381081"
                              z3="-2.830819"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.507274"
                              y3="-4.793983"
                              z3="2.371305"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.849493"
                              y3="-5.114487"
                              z3="2.993112"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.290406"
                              y3="-5.327619"
                              z3="2.525699"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.188308"
                              y3="-0.880254"
                              z3="-0.179767"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.919132"
                              y3="-1.390664"
                              z3="-0.130233"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836557"
                              y3="-0.49601"
                              z3="-0.022403"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04671"
                              y3="0.894115"
                              z3="0.033512"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374618"
                              y3="1.385606"
                              z3="-0.02132"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421203"
                              y3="0.514352"
                              z3="-0.125645"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728153"
                              y3="-2.45603"
                              z3="-0.168677"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089867"
                              y3="1.726425"
                              z3="0.140397"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.540757"
                              y3="2.455514"
                              z3="0.021022"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437191"
                              y3="0.886057"
                              z3="-0.167422"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351903"
                              y3="1.195046"
                              z3="0.190984"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.523125"
                              y3="-0.197405"
                              z3="0.135819"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.048823"
                              y3="2.801275"
                              z3="0.182542"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21997"
                              y3="1.831826"
                              z3="0.27142"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.44914"
                              y3="-0.969617"
                              z3="0.029077"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.580241"
                              y3="-2.007107"
                              z3="-0.017987"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.032061"
                              y3="-1.554649"
                              z3="-0.261641"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.855561"
                              y3="-0.89224"
                              z3="0.21014"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.867626"
                              y3="-1.671715"
                              z3="-0.55586"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890048"
                              y3="-1.419667"
                              z3="1.169272"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.068586"
                              y3="0.019644"
                              z3="0.067287"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.978833"
                              y3="-0.579272"
                              z3="0.079979"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13667"
                              y3="0.734938"
                              z3="0.888513"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.046094"
                              y3="0.572386"
                              z3="-0.873752"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.685619"
                              y3="-3.650808"
                              z3="-0.045308"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.997302"
                              y3="-4.130077"
                              z3="0.739693"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.833471"
                              y3="-4.219093"
                              z3="-0.818442"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.072421"
                              y3="-5.226894"
                              z3="-2.326777"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.437994"
                              y3="-5.874914"
                              z3="-2.64092"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.875135"
                              y3="-5.379661"
                              z3="-2.829958"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.510227"
                              y3="-4.796867"
                              z3="2.371491"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.854343"
                              y3="-5.120118"
                              z3="2.99382"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.294637"
                              y3="-5.32955"
                              z3="2.522675"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.188391"
                              y3="-0.879857"
                              z3="-0.181837"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.919311"
                              y3="-1.390363"
                              z3="-0.131021"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836788"
                              y3="-0.495755"
                              z3="-0.022531"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046863"
                              y3="0.894397"
                              z3="0.03278"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374656"
                              y3="1.385985"
                              z3="-0.023369"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421206"
                              y3="0.514782"
                              z3="-0.128362"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728357"
                              y3="-2.455752"
                              z3="-0.168928"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089711"
                              y3="1.726628"
                              z3="0.140368"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.540753"
                              y3="2.455919"
                              z3="0.0185"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437112"
                              y3="0.886569"
                              z3="-0.171153"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351608"
                              y3="1.19512"
                              z3="0.192206"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.522728"
                              y3="-0.197404"
                              z3="0.137626"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.048901"
                              y3="2.801507"
                              z3="0.182039"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219662"
                              y3="1.831823"
                              z3="0.273164"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.448803"
                              y3="-0.96951"
                              z3="0.030131"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.579765"
                              y3="-2.007041"
                              z3="-0.016714"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.032121"
                              y3="-1.554197"
                              z3="-0.264243"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.855078"
                              y3="-0.892269"
                              z3="0.213532"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.866774"
                              y3="-1.67428"
                              z3="-0.54992"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889909"
                              y3="-1.41649"
                              z3="1.174432"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.068171"
                              y3="0.019073"
                              z3="0.06714"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.978392"
                              y3="-0.579889"
                              z3="0.079924"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.137456"
                              y3="0.736102"
                              z3="0.886664"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.044559"
                              y3="0.569718"
                              z3="-0.874975"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.684623"
                              y3="-3.651067"
                              z3="-0.043632"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.997988"
                              y3="-4.129863"
                              z3="0.74105"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.832334"
                              y3="-4.219072"
                              z3="-0.816989"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.069271"
                              y3="-5.225017"
                              z3="-2.326926"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.43398"
                              y3="-5.872848"
                              z3="-2.639785"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.870958"
                              y3="-5.378769"
                              z3="-2.831187"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.514952"
                              y3="-4.79897"
                              z3="2.37075"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.862503"
                              y3="-5.123473"
                              z3="2.995957"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.300536"
                              y3="-5.331165"
                              z3="2.51684"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187985"
                              y3="-0.880384"
                              z3="-0.180284"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.918774"
                              y3="-1.390627"
                              z3="-0.130261"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836345"
                              y3="-0.495806"
                              z3="-0.022521"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046695"
                              y3="0.894309"
                              z3="0.032826"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374636"
                              y3="1.385619"
                              z3="-0.022464"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421071"
                              y3="0.514208"
                              z3="-0.126722"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.72762"
                              y3="-2.455969"
                              z3="-0.168286"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089748"
                              y3="1.726787"
                              z3="0.13957"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.540923"
                              y3="2.455518"
                              z3="0.019451"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437085"
                              y3="0.885777"
                              z3="-0.16887"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351808"
                              y3="1.195561"
                              z3="0.190592"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.523188"
                              y3="-0.196908"
                              z3="0.136053"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049075"
                              y3="2.801636"
                              z3="0.181246"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219774"
                              y3="1.832457"
                              z3="0.27091"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449364"
                              y3="-0.969275"
                              z3="0.029356"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.580557"
                              y3="-2.006808"
                              z3="-0.017346"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.031626"
                              y3="-1.554899"
                              z3="-0.262127"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.855692"
                              y3="-0.891571"
                              z3="0.21117"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.868064"
                              y3="-1.671646"
                              z3="-0.554175"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890013"
                              y3="-1.418178"
                              z3="1.170725"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.068651"
                              y3="0.020309"
                              z3="0.06784"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.97897"
                              y3="-0.578517"
                              z3="0.080752"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136713"
                              y3="0.735998"
                              z3="0.888676"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.046079"
                              y3="0.572564"
                              z3="-0.873428"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.685586"
                              y3="-3.65069"
                              z3="-0.043996"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.997207"
                              y3="-4.129727"
                              z3="0.741237"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.833122"
                              y3="-4.219361"
                              z3="-0.81694"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.070587"
                              y3="-5.22618"
                              z3="-2.326157"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.434516"
                              y3="-5.872558"
                              z3="-2.64041"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.872496"
                              y3="-5.380341"
                              z3="-2.829964"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.511146"
                              y3="-4.799892"
                              z3="2.371312"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.85737"
                              y3="-5.124848"
                              z3="2.994873"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.296483"
                              y3="-5.331987"
                              z3="2.518892"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187757"
                              y3="-0.880741"
                              z3="-0.179608"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.918465"
                              y3="-1.390824"
                              z3="-0.129983"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836117"
                              y3="-0.49588"
                              z3="-0.022534"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046639"
                              y3="0.894205"
                              z3="0.032906"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374665"
                              y3="1.385348"
                              z3="-0.021953"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421017"
                              y3="0.513815"
                              z3="-0.125918"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.727182"
                              y3="-2.456134"
                              z3="-0.168124"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089722"
                              y3="1.726831"
                              z3="0.139276"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.541079"
                              y3="2.455221"
                              z3="0.020049"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437093"
                              y3="0.885255"
                              z3="-0.167742"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351877"
                              y3="1.195773"
                              z3="0.189894"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.523419"
                              y3="-0.196669"
                              z3="0.135377"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049234"
                              y3="2.801659"
                              z3="0.180983"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219787"
                              y3="1.832782"
                              z3="0.269887"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449667"
                              y3="-0.96918"
                              z3="0.028982"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.581024"
                              y3="-2.006713"
                              z3="-0.01763"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.03133"
                              y3="-1.555356"
                              z3="-0.261227"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.855975"
                              y3="-0.891223"
                              z3="0.210394"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.868466"
                              y3="-1.671028"
                              z3="-0.555187"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890189"
                              y3="-1.41816"
                              z3="1.169747"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.068909"
                              y3="0.020732"
                              z3="0.067626"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.979237"
                              y3="-0.578068"
                              z3="0.080933"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136569"
                              y3="0.736375"
                              z3="0.888549"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.046713"
                              y3="0.57307"
                              z3="-0.873635"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.686354"
                              y3="-3.650393"
                              z3="-0.043978"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.996995"
                              y3="-4.12943"
                              z3="0.741645"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.833722"
                              y3="-4.219606"
                              z3="-0.81659"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.071637"
                              y3="-5.226701"
                              z3="-2.325424"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.434207"
                              y3="-5.870562"
                              z3="-2.64204"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.873633"
                              y3="-5.381365"
                              z3="-2.828944"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.509111"
                              y3="-4.800234"
                              z3="2.371755"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.854371"
                              y3="-5.125901"
                              z3="2.993934"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.294292"
                              y3="-5.33233"
                              z3="2.520108"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187064"
                              y3="-0.881705"
                              z3="-0.17795"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.917555"
                              y3="-1.391311"
                              z3="-0.129043"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.835462"
                              y3="-0.495992"
                              z3="-0.022255"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046468"
                              y3="0.894003"
                              z3="0.033231"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374712"
                              y3="1.384654"
                              z3="-0.020872"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.420807"
                              y3="0.512754"
                              z3="-0.124185"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.725903"
                              y3="-2.456543"
                              z3="-0.167251"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089656"
                              y3="1.727042"
                              z3="0.138801"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.541492"
                              y3="2.454457"
                              z3="0.021172"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437043"
                              y3="0.883819"
                              z3="-0.16543"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.352038"
                              y3="1.196448"
                              z3="0.188693"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524053"
                              y3="-0.195927"
                              z3="0.134258"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.049665"
                              y3="2.801814"
                              z3="0.18046"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219769"
                              y3="1.833778"
                              z3="0.268023"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.450509"
                              y3="-0.968827"
                              z3="0.028547"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.582243"
                              y3="-2.006321"
                              z3="-0.018212"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.030436"
                              y3="-1.55662"
                              z3="-0.259043"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85685"
                              y3="-0.890035"
                              z3="0.208758"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.869464"
                              y3="-1.66948"
                              z3="-0.557155"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.891339"
                              y3="-1.417404"
                              z3="1.167844"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069496"
                              y3="0.022341"
                              z3="0.066307"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.980028"
                              y3="-0.576116"
                              z3="0.080285"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136502"
                              y3="0.738271"
                              z3="0.887052"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.047566"
                              y3="0.57437"
                              z3="-0.87516"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.688977"
                              y3="-3.649674"
                              z3="-0.043831"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.996649"
                              y3="-4.128911"
                              z3="0.742833"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.83579"
                              y3="-4.220124"
                              z3="-0.815621"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.074691"
                              y3="-5.2291"
                              z3="-2.323002"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.432049"
                              y3="-5.863173"
                              z3="-2.648663"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.877006"
                              y3="-5.3863"
                              z3="-2.825224"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.503082"
                              y3="-4.802002"
                              z3="2.373132"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.846085"
                              y3="-5.129705"
                              z3="2.991846"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.288067"
                              y3="-5.333913"
                              z3="2.523185"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.186078"
                              y3="-0.882929"
                              z3="-0.177139"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.916286"
                              y3="-1.391904"
                              z3="-0.128818"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.834595"
                              y3="-0.496067"
                              z3="-0.022264"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046281"
                              y3="0.893812"
                              z3="0.03359"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374791"
                              y3="1.383813"
                              z3="-0.019901"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.420496"
                              y3="0.511411"
                              z3="-0.1230"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.724105"
                              y3="-2.457041"
                              z3="-0.167249"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089477"
                              y3="1.727404"
                              z3="0.13888"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542094"
                              y3="2.453533"
                              z3="0.02244"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436935"
                              y3="0.881987"
                              z3="-0.16377"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.352133"
                              y3="1.197419"
                              z3="0.188183"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524835"
                              y3="-0.194879"
                              z3="0.133425"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.050357"
                              y3="2.802109"
                              z3="0.180796"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219574"
                              y3="1.835172"
                              z3="0.26728"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.451629"
                              y3="-0.968287"
                              z3="0.027982"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.583914"
                              y3="-2.005682"
                              z3="-0.01909"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.029145"
                              y3="-1.558256"
                              z3="-0.258025"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858011"
                              y3="-0.88834"
                              z3="0.207239"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.870883"
                              y3="-1.667334"
                              z3="-0.559141"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.892942"
                              y3="-1.416285"
                              z3="1.165979"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070166"
                              y3="0.024718"
                              z3="0.065132"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981039"
                              y3="-0.573218"
                              z3="0.079439"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136517"
                              y3="0.740714"
                              z3="0.885846"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.048221"
                              y3="0.576658"
                              z3="-0.876353"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.692624"
                              y3="-3.648712"
                              z3="-0.043554"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.997039"
                              y3="-4.128418"
                              z3="0.744102"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.837917"
                              y3="-4.220808"
                              z3="-0.814419"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.076254"
                              y3="-5.233499"
                              z3="-2.31973"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.426443"
                              y3="-5.854025"
                              z3="-2.65697"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.878499"
                              y3="-5.39464"
                              z3="-2.820765"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.497603"
                              y3="-4.804214"
                              z3="2.374683"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.838874"
                              y3="-5.132707"
                              z3="2.99113"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.281865"
                              y3="-5.336936"
                              z3="2.525592"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.184576"
                              y3="-0.884607"
                              z3="-0.177306"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.914425"
                              y3="-1.39268"
                              z3="-0.129129"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.833348"
                              y3="-0.496124"
                              z3="-0.022457"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045999"
                              y3="0.893569"
                              z3="0.033739"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374846"
                              y3="1.382643"
                              z3="-0.019666"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419953"
                              y3="0.509541"
                              z3="-0.122936"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.721495"
                              y3="-2.45767"
                              z3="-0.167642"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.089201"
                              y3="1.727908"
                              z3="0.139306"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542897"
                              y3="2.452224"
                              z3="0.022898"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436646"
                              y3="0.879413"
                              z3="-0.163627"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.352195"
                              y3="1.198771"
                              z3="0.188546"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525875"
                              y3="-0.193396"
                              z3="0.133293"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05136"
                              y3="2.802496"
                              z3="0.181499"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.219197"
                              y3="1.837085"
                              z3="0.267911"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.453188"
                              y3="-0.967493"
                              z3="0.02759"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.586154"
                              y3="-2.004751"
                              z3="-0.02019"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.027179"
                              y3="-1.560505"
                              z3="-0.258231"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859574"
                              y3="-0.885889"
                              z3="0.206554"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.873142"
                              y3="-1.664026"
                              z3="-0.56069"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.894818"
                              y3="-1.414911"
                              z3="1.164693"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071028"
                              y3="0.028286"
                              z3="0.065561"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982401"
                              y3="-0.568866"
                              z3="0.079996"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136375"
                              y3="0.743892"
                              z3="0.88667"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.049103"
                              y3="0.580685"
                              z3="-0.875629"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.69735"
                              y3="-3.647677"
                              z3="-0.043974"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-0.998818"
                              y3="-4.127706"
                              z3="0.744657"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.839618"
                              y3="-4.221783"
                              z3="-0.813813"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.073737"
                              y3="-5.24104"
                              z3="-2.316009"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.415002"
                              y3="-5.84509"
                              z3="-2.665567"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.875125"
                              y3="-5.407475"
                              z3="-2.81664"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.494635"
                              y3="-4.805793"
                              z3="2.375359"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.834517"
                              y3="-5.132955"
                              z3="2.991029"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.276968"
                              y3="-5.341509"
                              z3="2.525732"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.183126"
                              y3="-0.886128"
                              z3="-0.179286"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.912629"
                              y3="-1.393362"
                              z3="-0.1311"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.832197"
                              y3="-0.496132"
                              z3="-0.023437"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045832"
                              y3="0.893384"
                              z3="0.033797"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375002"
                              y3="1.381594"
                              z3="-0.019663"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419478"
                              y3="0.507845"
                              z3="-0.123943"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.718953"
                              y3="-2.458213"
                              z3="-0.170193"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088758"
                              y3="1.728419"
                              z3="0.140491"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54381"
                              y3="2.451047"
                              z3="0.023706"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436414"
                              y3="0.877063"
                              z3="-0.164654"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.352086"
                              y3="1.200082"
                              z3="0.189854"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526775"
                              y3="-0.191944"
                              z3="0.133524"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052551"
                              y3="2.802896"
                              z3="0.183498"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21861"
                              y3="1.838927"
                              z3="0.270136"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.454645"
                              y3="-0.966676"
                              z3="0.026724"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.588392"
                              y3="-2.003737"
                              z3="-0.021877"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.025245"
                              y3="-1.562558"
                              z3="-0.260922"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860945"
                              y3="-0.883581"
                              z3="0.206572"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.875654"
                              y3="-1.660424"
                              z3="-0.561968"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895894"
                              y3="-1.414245"
                              z3="1.163798"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071805"
                              y3="0.031708"
                              z3="0.067986"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983616"
                              y3="-0.564795"
                              z3="0.082457"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.135822"
                              y3="0.74624"
                              z3="0.890134"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050364"
                              y3="0.585378"
                              z3="-0.87246"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.702267"
                              y3="-3.646471"
                              z3="-0.044993"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.002322"
                              y3="-4.126704"
                              z3="0.74407"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.840394"
                              y3="-4.222913"
                              z3="-0.813846"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.067406"
                              y3="-5.250712"
                              z3="-2.312075"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.399825"
                              y3="-5.839021"
                              z3="-2.671486"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.866991"
                              y3="-5.422585"
                              z3="-2.81373"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.496438"
                              y3="-4.805163"
                              z3="2.37512"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.835732"
                              y3="-5.12886"
                              z3="2.992019"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.275796"
                              y3="-5.345791"
                              z3="2.523277"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.181841"
                              y3="-0.887404"
                              z3="-0.180317"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.911053"
                              y3="-1.393852"
                              z3="-0.131984"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.831155"
                              y3="-0.495998"
                              z3="-0.024205"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045626"
                              y3="0.893357"
                              z3="0.033099"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375076"
                              y3="1.380757"
                              z3="-0.020587"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419022"
                              y3="0.506401"
                              z3="-0.125048"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.716739"
                              y3="-2.458573"
                              z3="-0.170921"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088461"
                              y3="1.729033"
                              z3="0.140221"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544529"
                              y3="2.450085"
                              z3="0.02279"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436167"
                              y3="0.874998"
                              z3="-0.165907"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.352069"
                              y3="1.201431"
                              z3="0.1899"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.527604"
                              y3="-0.190467"
                              z3="0.133286"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053474"
                              y3="2.803405"
                              z3="0.183342"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.218196"
                              y3="1.84076"
                              z3="0.270629"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.455929"
                              y3="-0.965807"
                              z3="0.026085"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59023"
                              y3="-2.002768"
                              z3="-0.022923"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.023549"
                              y3="-1.564331"
                              z3="-0.261983"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.862191"
                              y3="-0.881312"
                              z3="0.206027"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.878683"
                              y3="-1.655314"
                              z3="-0.565353"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.89605"
                              y3="-1.415549"
                              z3="1.161304"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.072554"
                              y3="0.035392"
                              z3="0.072661"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984829"
                              y3="-0.560373"
                              z3="0.087253"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134211"
                              y3="0.747542"
                              z3="0.897043"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.052665"
                              y3="0.591804"
                              z3="-0.866191"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.706485"
                              y3="-3.645538"
                              z3="-0.04608"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.005736"
                              y3="-4.125851"
                              z3="0.743295"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.839972"
                              y3="-4.223978"
                              z3="-0.814139"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.059916"
                              y3="-5.260029"
                              z3="-2.308222"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.385361"
                              y3="-5.835848"
                              z3="-2.674738"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.85763"
                              y3="-5.435841"
                              z3="-2.811469"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.499891"
                              y3="-4.805083"
                              z3="2.373709"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.838903"
                              y3="-5.125207"
                              z3="2.992218"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.275966"
                              y3="-5.351271"
                              z3="2.518734"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.18121"
                              y3="-0.888082"
                              z3="-0.181278"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.910246"
                              y3="-1.394119"
                              z3="-0.132948"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.830647"
                              y3="-0.49591"
                              z3="-0.025011"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045594"
                              y3="0.893389"
                              z3="0.032494"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375215"
                              y3="1.380367"
                              z3="-0.021178"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418865"
                              y3="0.50567"
                              z3="-0.125817"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.715587"
                              y3="-2.458795"
                              z3="-0.171943"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088194"
                              y3="1.729427"
                              z3="0.139865"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54503"
                              y3="2.449654"
                              z3="0.02238"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436136"
                              y3="0.873948"
                              z3="-0.166653"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.35199"
                              y3="1.20222"
                              z3="0.189615"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.528017"
                              y3="-0.189618"
                              z3="0.132801"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.054105"
                              y3="2.803764"
                              z3="0.183158"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217884"
                              y3="1.841835"
                              z3="0.270573"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.456588"
                              y3="-0.965295"
                              z3="0.025367"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.591324"
                              y3="-2.002143"
                              z3="-0.023635"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.022696"
                              y3="-1.56529"
                              z3="-0.263055"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.862812"
                              y3="-0.880127"
                              z3="0.205303"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880654"
                              y3="-1.65176"
                              z3="-0.568438"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895577"
                              y3="-1.417352"
                              z3="1.158909"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.073001"
                              y3="0.03739"
                              z3="0.076329"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.985486"
                              y3="-0.558077"
                              z3="0.091053"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.132873"
                              y3="0.747568"
                              z3="0.902581"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.054586"
                              y3="0.596093"
                              z3="-0.861211"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.709439"
                              y3="-3.644697"
                              z3="-0.046445"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008481"
                              y3="-4.125393"
                              z3="0.742763"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.839798"
                              y3="-4.224409"
                              z3="-0.814116"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.054701"
                              y3="-5.265812"
                              z3="-2.305304"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.375904"
                              y3="-5.834168"
                              z3="-2.675605"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.850805"
                              y3="-5.443188"
                              z3="-2.810545"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.503174"
                              y3="-4.804883"
                              z3="2.373144"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.842178"
                              y3="-5.122979"
                              z3="2.992719"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.277164"
                              y3="-5.354656"
                              z3="2.515658"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.180862"
                              y3="-0.888476"
                              z3="-0.180499"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.909801"
                              y3="-1.394252"
                              z3="-0.13234"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.830308"
                              y3="-0.495813"
                              z3="-0.0252"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045481"
                              y3="0.893463"
                              z3="0.031725"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375205"
                              y3="1.38017"
                              z3="-0.021767"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.418739"
                              y3="0.505248"
                              z3="-0.125657"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.71497"
                              y3="-2.458902"
                              z3="-0.170851"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088194"
                              y3="1.729736"
                              z3="0.138436"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545189"
                              y3="2.449436"
                              z3="0.021333"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436085"
                              y3="0.873315"
                              z3="-0.166349"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.352096"
                              y3="1.202774"
                              z3="0.188075"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.528344"
                              y3="-0.189039"
                              z3="0.131737"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05427"
                              y3="2.804057"
                              z3="0.181324"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217899"
                              y3="1.842572"
                              z3="0.2686"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457002"
                              y3="-0.964954"
                              z3="0.024976"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59187"
                              y3="-2.001816"
                              z3="-0.02368"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.022257"
                              y3="-1.565868"
                              z3="-0.261653"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.863287"
                              y3="-0.87932"
                              z3="0.203718"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882335"
                              y3="-1.648322"
                              z3="-0.572638"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895019"
                              y3="-1.419832"
                              z3="1.155499"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.073339"
                              y3="0.03898"
                              z3="0.07934"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.986022"
                              y3="-0.556162"
                              z3="0.094158"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131367"
                              y3="0.747006"
                              z3="0.907561"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.056476"
                              y3="0.600116"
                              z3="-0.856768"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.710943"
                              y3="-3.644351"
                              z3="-0.046412"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.009388"
                              y3="-4.125327"
                              z3="0.742887"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.839227"
                              y3="-4.22476"
                              z3="-0.813846"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.052388"
                              y3="-5.268605"
                              z3="-2.303487"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.372027"
                              y3="-5.833698"
                              z3="-2.67591"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.847906"
                              y3="-5.445966"
                              z3="-2.80966"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.503825"
                              y3="-4.805914"
                              z3="2.372652"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.842627"
                              y3="-5.12362"
                              z3="2.992243"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.276888"
                              y3="-5.357307"
                              z3="2.513985"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.182282"
                              y3="-0.886872"
                              z3="-0.183611"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.911622"
                              y3="-1.393581"
                              z3="-0.134374"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.831674"
                              y3="-0.495979"
                              z3="-0.025026"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045942"
                              y3="0.89339"
                              z3="0.032959"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37525"
                              y3="1.381072"
                              z3="-0.02171"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419259"
                              y3="0.506959"
                              z3="-0.127723"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.717496"
                              y3="-2.458338"
                              z3="-0.173647"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088195"
                              y3="1.728797"
                              z3="0.141742"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544553"
                              y3="2.450417"
                              z3="0.02219"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.4363"
                              y3="0.875774"
                              z3="-0.169319"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351655"
                              y3="1.200918"
                              z3="0.192397"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.527002"
                              y3="-0.190993"
                              z3="0.13511"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053584"
                              y3="2.803182"
                              z3="0.185381"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217829"
                              y3="1.840036"
                              z3="0.274355"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45529"
                              y3="-0.966052"
                              z3="0.026233"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.589482"
                              y3="-2.002965"
                              z3="-0.023136"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.024042"
                              y3="-1.563606"
                              z3="-0.266454"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861372"
                              y3="-0.882101"
                              z3="0.209156"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.877544"
                              y3="-1.657844"
                              z3="-0.560463"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895173"
                              y3="-1.414184"
                              z3="1.165646"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.072001"
                              y3="0.033988"
                              z3="0.073632"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984061"
                              y3="-0.56212"
                              z3="0.088676"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134421"
                              y3="0.747468"
                              z3="0.896854"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051748"
                              y3="0.588927"
                              z3="-0.866133"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.706186"
                              y3="-3.645693"
                              z3="-0.046002"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008624"
                              y3="-4.125117"
                              z3="0.742699"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.838887"
                              y3="-4.224169"
                              z3="-0.814153"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.055736"
                              y3="-5.261681"
                              z3="-2.307375"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.378548"
                              y3="-5.833824"
                              z3="-2.674827"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.852311"
                              y3="-5.438856"
                              z3="-2.811993"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.508664"
                              y3="-4.801798"
                              z3="2.372578"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.848965"
                              y3="-5.120199"
                              z3="2.993373"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.28361"
                              y3="-5.350385"
                              z3="2.514495"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.183363"
                              y3="-0.885676"
                              z3="-0.185945"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.913011"
                              y3="-1.393092"
                              z3="-0.13587"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.8327"
                              y3="-0.496123"
                              z3="-0.024981"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046295"
                              y3="0.893321"
                              z3="0.033663"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375291"
                              y3="1.381739"
                              z3="-0.021913"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41966"
                              y3="0.50824"
                              z3="-0.129411"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.719417"
                              y3="-2.457927"
                              z3="-0.175623"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088182"
                              y3="1.728082"
                              z3="0.143917"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544074"
                              y3="2.451145"
                              z3="0.022482"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43647"
                              y3="0.877618"
                              z3="-0.171706"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351312"
                              y3="1.199521"
                              z3="0.195365"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525978"
                              y3="-0.192461"
                              z3="0.137468"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053087"
                              y3="2.802513"
                              z3="0.188033"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217752"
                              y3="1.838141"
                              z3="0.278361"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.453994"
                              y3="-0.966894"
                              z3="0.027116"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.587706"
                              y3="-2.003885"
                              z3="-0.022764"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.025398"
                              y3="-1.561917"
                              z3="-0.269969"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859907"
                              y3="-0.884239"
                              z3="0.212972"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.874368"
                              y3="-1.664049"
                              z3="-0.552531"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.894745"
                              y3="-1.411198"
                              z3="1.172299"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070998"
                              y3="0.030306"
                              z3="0.070957"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982597"
                              y3="-0.566501"
                              z3="0.086043"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136143"
                              y3="0.746847"
                              z3="0.891293"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.048792"
                              y3="0.581706"
                              z3="-0.870847"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.702481"
                              y3="-3.646752"
                              z3="-0.046204"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008589"
                              y3="-4.124891"
                              z3="0.741851"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.837504"
                              y3="-4.224149"
                              z3="-0.814816"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.057023"
                              y3="-5.257856"
                              z3="-2.309916"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.381763"
                              y3="-5.833904"
                              z3="-2.674831"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.854419"
                              y3="-5.435371"
                              z3="-2.813131"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.51417"
                              y3="-4.797288"
                              z3="2.372144"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.855829"
                              y3="-5.115406"
                              z3="2.994517"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.289815"
                              y3="-5.345032"
                              z3="2.513505"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.183197"
                              y3="-0.885829"
                              z3="-0.185557"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.912796"
                              y3="-1.393124"
                              z3="-0.13556"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.832547"
                              y3="-0.496046"
                              z3="-0.024922"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04625"
                              y3="0.893388"
                              z3="0.033551"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375295"
                              y3="1.38168"
                              z3="-0.021936"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419605"
                              y3="0.508073"
                              z3="-0.12919"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.719112"
                              y3="-2.457947"
                              z3="-0.175195"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088175"
                              y3="1.728259"
                              z3="0.143546"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544163"
                              y3="2.451076"
                              z3="0.022327"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436451"
                              y3="0.877356"
                              z3="-0.171421"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351357"
                              y3="1.199813"
                              z3="0.194899"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526129"
                              y3="-0.19216"
                              z3="0.137157"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053175"
                              y3="2.802684"
                              z3="0.187535"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217757"
                              y3="1.838518"
                              z3="0.277707"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.454187"
                              y3="-0.966702"
                              z3="0.027073"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.587971"
                              y3="-2.00369"
                              z3="-0.022751"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.025186"
                              y3="-1.562155"
                              z3="-0.269393"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860127"
                              y3="-0.88383"
                              z3="0.212461"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.874847"
                              y3="-1.663038"
                              z3="-0.553647"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.894808"
                              y3="-1.411555"
                              z3="1.171361"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.07115"
                              y3="0.030937"
                              z3="0.071403"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982816"
                              y3="-0.565765"
                              z3="0.086537"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13587"
                              y3="0.747066"
                              z3="0.892131"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.04926"
                              y3="0.582815"
                              z3="-0.870127"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.703099"
                              y3="-3.646524"
                              z3="-0.046277"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008591"
                              y3="-4.124884"
                              z3="0.741881"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.837697"
                              y3="-4.22409"
                              z3="-0.814835"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.056723"
                              y3="-5.258593"
                              z3="-2.309483"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.381254"
                              y3="-5.834148"
                              z3="-2.674778"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.854086"
                              y3="-5.436179"
                              z3="-2.812704"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.513351"
                              y3="-4.798273"
                              z3="2.372055"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.85492"
                              y3="-5.116388"
                              z3="2.994328"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.288902"
                              y3="-5.346176"
                              z3="2.513354"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.183561"
                              y3="-0.885322"
                              z3="-0.186689"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.913254"
                              y3="-1.392813"
                              z3="-0.136201"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.832928"
                              y3="-0.495911"
                              z3="-0.024927"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046438"
                              y3="0.893544"
                              z3="0.033682"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375382"
                              y3="1.382043"
                              z3="-0.022321"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419777"
                              y3="0.508605"
                              z3="-0.130197"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.71972"
                              y3="-2.457664"
                              z3="-0.175905"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.088078"
                              y3="1.728228"
                              z3="0.144289"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544109"
                              y3="2.451459"
                              z3="0.022043"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436549"
                              y3="0.878049"
                              z3="-0.17283"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.351153"
                              y3="1.19958"
                              z3="0.196084"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525735"
                              y3="-0.19242"
                              z3="0.138192"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053123"
                              y3="2.80267"
                              z3="0.188383"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217625"
                              y3="1.838135"
                              z3="0.279323"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.453723"
                              y3="-0.966775"
                              z3="0.027526"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.587361"
                              y3="-2.003767"
                              z3="-0.022541"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.025616"
                              y3="-1.561509"
                              z3="-0.271018"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859593"
                              y3="-0.884268"
                              z3="0.214121"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.873773"
                              y3="-1.664894"
                              z3="-0.550527"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.894602"
                              y3="-1.41021"
                              z3="1.173988"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070769"
                              y3="0.029976"
                              z3="0.070811"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982284"
                              y3="-0.566956"
                              z3="0.08626"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.136279"
                              y3="0.747384"
                              z3="0.890376"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.04835"
                              y3="0.5804"
                              z3="-0.871577"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.702481"
                              y3="-3.646574"
                              z3="-0.046343"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.009146"
                              y3="-4.124509"
                              z3="0.741609"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.837237"
                              y3="-4.223972"
                              z3="-0.814988"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.056203"
                              y3="-5.258396"
                              z3="-2.309606"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.380748"
                              y3="-5.833858"
                              z3="-2.675082"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.853926"
                              y3="-5.436723"
                              z3="-2.812007"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.516238"
                              y3="-4.797757"
                              z3="2.371282"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.858746"
                              y3="-5.115123"
                              z3="2.994916"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.291708"
                              y3="-5.346084"
                              z3="2.511403"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.18703"
                              y3="-0.881191"
                              z3="-0.200278"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.917783"
                              y3="-1.390872"
                              z3="-0.144739"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836587"
                              y3="-0.495964"
                              z3="-0.026478"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048086"
                              y3="0.893697"
                              z3="0.034041"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37592"
                              y3="1.384506"
                              z3="-0.027443"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421217"
                              y3="0.512996"
                              z3="-0.142173"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.725889"
                              y3="-2.455997"
                              z3="-0.18528"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087298"
                              y3="1.726303"
                              z3="0.151815"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543123"
                              y3="2.454107"
                              z3="0.018289"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437167"
                              y3="0.884216"
                              z3="-0.188962"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34919"
                              y3="1.195452"
                              z3="0.208703"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.521778"
                              y3="-0.196777"
                              z3="0.148809"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052358"
                              y3="2.800892"
                              z3="0.197293"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.216348"
                              y3="1.83238"
                              z3="0.297219"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449096"
                              y3="-0.96907"
                              z3="0.031024"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.581329"
                              y3="-2.006158"
                              z3="-0.021447"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.029778"
                              y3="-1.555827"
                              z3="-0.289857"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.854172"
                              y3="-0.890553"
                              z3="0.231512"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.864132"
                              y3="-1.68397"
                              z3="-0.5198"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.891272"
                              y3="-1.400063"
                              z3="1.200236"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.06683"
                              y3="0.018764"
                              z3="0.0691"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.976969"
                              y3="-0.580209"
                              z3="0.087107"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139217"
                              y3="0.746677"
                              z3="0.878747"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.039911"
                              y3="0.556932"
                              z3="-0.880258"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.69396"
                              y3="-3.649153"
                              z3="-0.045461"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.01712"
                              y3="-4.121652"
                              z3="0.739195"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.830479"
                              y3="-4.224423"
                              z3="-0.815416"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.045192"
                              y3="-5.254291"
                              z3="-2.313153"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.366647"
                              y3="-5.826362"
                              z3="-2.678364"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.842821"
                              y3="-5.439345"
                              z3="-2.813358"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.553955"
                              y3="-4.782624"
                              z3="2.364931"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.905435"
                              y3="-5.090764"
                              z3="3.002395"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.327085"
                              y3="-5.337085"
                              z3="2.493581"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.188326"
                              y3="-0.879523"
                              z3="-0.20712"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.919531"
                              y3="-1.390096"
                              z3="-0.14943"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.838035"
                              y3="-0.496043"
                              z3="-0.027629"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048758"
                              y3="0.893657"
                              z3="0.034322"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.376103"
                              y3="1.385406"
                              z3="-0.029464"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421716"
                              y3="0.51472"
                              z3="-0.147713"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728271"
                              y3="-2.455301"
                              z3="-0.190786"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.086925"
                              y3="1.725384"
                              z3="0.155797"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542715"
                              y3="2.455051"
                              z3="0.017331"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437307"
                              y3="0.88667"
                              z3="-0.196299"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.348291"
                              y3="1.193641"
                              z3="0.214759"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.520108"
                              y3="-0.198655"
                              z3="0.153235"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052134"
                              y3="2.799997"
                              z3="0.20248"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.215668"
                              y3="1.829884"
                              z3="0.306077"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.447235"
                              y3="-0.970075"
                              z3="0.031949"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.5789"
                              y3="-2.007222"
                              z3="-0.021808"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.031306"
                              y3="-1.553505"
                              z3="-0.299436"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.851882"
                              y3="-0.893284"
                              z3="0.238384"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.860607"
                              y3="-1.690548"
                              z3="-0.508813"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889256"
                              y3="-1.397767"
                              z3="1.209755"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.065193"
                              y3="0.014217"
                              z3="0.070545"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.974785"
                              y3="-0.585557"
                              z3="0.089021"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139901"
                              y3="0.744891"
                              z3="0.877423"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.036965"
                              y3="0.549025"
                              z3="-0.880622"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.690077"
                              y3="-3.650506"
                              z3="-0.045949"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.021363"
                              y3="-4.119946"
                              z3="0.737119"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.825383"
                              y3="-4.225802"
                              z3="-0.816152"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.037631"
                              y3="-5.255234"
                              z3="-2.315012"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.35731"
                              y3="-5.824723"
                              z3="-2.680826"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.835361"
                              y3="-5.444761"
                              z3="-2.813326"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.573353"
                              y3="-4.772658"
                              z3="2.362056"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.92934"
                              y3="-5.0748"
                              z3="3.006968"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.343969"
                              y3="-5.331963"
                              z3="2.484692"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.188418"
                              y3="-0.879564"
                              z3="-0.206672"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.91965"
                              y3="-1.390171"
                              z3="-0.148676"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.838116"
                              y3="-0.496111"
                              z3="-0.027368"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048776"
                              y3="0.893631"
                              z3="0.033808"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.376096"
                              y3="1.385412"
                              z3="-0.030282"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421745"
                              y3="0.514718"
                              z3="-0.148054"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728441"
                              y3="-2.455403"
                              z3="-0.189454"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.086941"
                              y3="1.725363"
                              z3="0.154849"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54266"
                              y3="2.455086"
                              z3="0.01591"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437316"
                              y3="0.886692"
                              z3="-0.196866"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.348284"
                              y3="1.19359"
                              z3="0.214145"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.520037"
                              y3="-0.198744"
                              z3="0.153388"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.052072"
                              y3="2.800003"
                              z3="0.200931"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21569"
                              y3="1.829834"
                              z3="0.305124"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.447131"
                              y3="-0.970174"
                              z3="0.032492"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.57876"
                              y3="-2.007359"
                              z3="-0.020721"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.031425"
                              y3="-1.553548"
                              z3="-0.298614"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.851773"
                              y3="-0.893398"
                              z3="0.238955"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.860405"
                              y3="-1.691188"
                              z3="-0.507684"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889185"
                              y3="-1.39721"
                              z3="1.210682"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.065127"
                              y3="0.013915"
                              z3="0.070388"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.974671"
                              y3="-0.585925"
                              z3="0.089193"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139967"
                              y3="0.745142"
                              z3="0.876766"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.036846"
                              y3="0.548086"
                              z3="-0.881152"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.689771"
                              y3="-3.650679"
                              z3="-0.044821"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.021311"
                              y3="-4.120449"
                              z3="0.737955"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.825288"
                              y3="-4.225441"
                              z3="-0.815382"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.037751"
                              y3="-5.253114"
                              z3="-2.315693"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.357713"
                              y3="-5.822887"
                              z3="-2.681608"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.835455"
                              y3="-5.441852"
                              z3="-2.814332"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.573864"
                              y3="-4.773882"
                              z3="2.362455"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.929909"
                              y3="-5.076004"
                              z3="3.007434"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.344135"
                              y3="-5.333796"
                              z3="2.484435"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.18867"
                              y3="-0.880005"
                              z3="-0.203754"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.919971"
                              y3="-1.390642"
                              z3="-0.144538"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.838292"
                              y3="-0.496425"
                              z3="-0.025754"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048756"
                              y3="0.893497"
                              z3="0.031728"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.376009"
                              y3="1.385291"
                              z3="-0.033504"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421798"
                              y3="0.514444"
                              z3="-0.148813"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728908"
                              y3="-2.455987"
                              z3="-0.182656"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087085"
                              y3="1.725394"
                              z3="0.150325"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542415"
                              y3="2.455099"
                              z3="0.009853"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437321"
                              y3="0.886431"
                              z3="-0.1985"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34837"
                              y3="1.193624"
                              z3="0.210774"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.519926"
                              y3="-0.198876"
                              z3="0.153696"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051791"
                              y3="2.800158"
                              z3="0.193543"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.215882"
                              y3="1.829984"
                              z3="0.29982"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.446904"
                              y3="-0.970494"
                              z3="0.03516"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.578423"
                              y3="-2.00783"
                              z3="-0.015616"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.03178"
                              y3="-1.5541"
                              z3="-0.293833"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.851601"
                              y3="-0.893476"
                              z3="0.240567"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.859764"
                              y3="-1.693233"
                              z3="-0.50397"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889439"
                              y3="-1.394761"
                              z3="1.213593"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.0650"
                              y3="0.013203"
                              z3="0.068987"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.97444"
                              y3="-0.586743"
                              z3="0.088897"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.140394"
                              y3="0.746524"
                              z3="0.873409"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.036293"
                              y3="0.544901"
                              z3="-0.883942"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.688594"
                              y3="-3.651338"
                              z3="-0.039769"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.020081"
                              y3="-4.123062"
                              z3="0.74187"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.825481"
                              y3="-4.223425"
                              z3="-0.81204"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.039488"
                              y3="-5.242485"
                              z3="-2.319495"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.361898"
                              y3="-5.815309"
                              z3="-2.68515"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.838135"
                              y3="-5.428735"
                              z3="-2.817542"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.573448"
                              y3="-4.781084"
                              z3="2.364256"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.929432"
                              y3="-5.080593"
                              z3="3.010379"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.340932"
                              y3="-5.34538"
                              z3="2.483548"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.18849"
                              y3="-0.880613"
                              z3="-0.200085"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.919705"
                              y3="-1.391064"
                              z3="-0.141342"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.838001"
                              y3="-0.496587"
                              z3="-0.024679"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048539"
                              y3="0.893399"
                              z3="0.031106"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.3759"
                              y3="1.384987"
                              z3="-0.033589"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421704"
                              y3="0.513894"
                              z3="-0.146764"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728555"
                              y3="-2.456433"
                              z3="-0.178375"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087324"
                              y3="1.725555"
                              z3="0.147542"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542362"
                              y3="2.454838"
                              z3="0.00847"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437304"
                              y3="0.885717"
                              z3="-0.19602"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.348727"
                              y3="1.193985"
                              z3="0.207558"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52035"
                              y3="-0.198563"
                              z3="0.15225"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051606"
                              y3="2.800368"
                              z3="0.189415"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.216256"
                              y3="1.830554"
                              z3="0.294953"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.447277"
                              y3="-0.97045"
                              z3="0.035814"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.578823"
                              y3="-2.007832"
                              z3="-0.013731"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.031612"
                              y3="-1.554903"
                              z3="-0.28854"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.852177"
                              y3="-0.892962"
                              z3="0.238561"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.860367"
                              y3="-1.692259"
                              z3="-0.506478"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890277"
                              y3="-1.394845"
                              z3="1.211245"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.06539"
                              y3="0.013991"
                              z3="0.067296"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.974954"
                              y3="-0.585771"
                              z3="0.087136"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.14052"
                              y3="0.747136"
                              z3="0.871899"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.036681"
                              y3="0.545903"
                              z3="-0.885504"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.688206"
                              y3="-3.65147"
                              z3="-0.03793"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.017174"
                              y3="-4.124814"
                              z3="0.743772"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.827139"
                              y3="-4.222041"
                              z3="-0.81095"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.043946"
                              y3="-5.235728"
                              z3="-2.322216"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.36986"
                              y3="-5.814594"
                              z3="-2.684808"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.844073"
                              y3="-5.420989"
                              z3="-2.818236"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.566478"
                              y3="-4.786587"
                              z3="2.366031"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.920999"
                              y3="-5.08399"
                              z3="3.011684"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.332081"
                              y3="-5.353264"
                              z3="2.486045"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187926"
                              y3="-0.88151"
                              z3="-0.196284"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.918936"
                              y3="-1.391581"
                              z3="-0.138658"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.837331"
                              y3="-0.496714"
                              z3="-0.023879"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04818"
                              y3="0.893269"
                              z3="0.031085"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375758"
                              y3="1.384451"
                              z3="-0.032382"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421462"
                              y3="0.512982"
                              z3="-0.143668"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.727508"
                              y3="-2.456918"
                              z3="-0.175306"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087589"
                              y3="1.725828"
                              z3="0.145462"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542455"
                              y3="2.454295"
                              z3="0.009061"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437226"
                              y3="0.884489"
                              z3="-0.191999"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349223"
                              y3="1.194656"
                              z3="0.204288"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.521157"
                              y3="-0.197884"
                              z3="0.149891"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051584"
                              y3="2.80064"
                              z3="0.186664"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.216673"
                              y3="1.831547"
                              z3="0.290097"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.448144"
                              y3="-0.970174"
                              z3="0.035518"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.579852"
                              y3="-2.007561"
                              z3="-0.013261"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.030971"
                              y3="-1.5561"
                              z3="-0.283332"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85329"
                              y3="-0.891907"
                              z3="0.234708"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.861842"
                              y3="-1.689411"
                              z3="-0.512263"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.891551"
                              y3="-1.396109"
                              z3="1.206148"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.066159"
                              y3="0.01588"
                              z3="0.065597"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.976002"
                              y3="-0.583484"
                              z3="0.084868"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.140484"
                              y3="0.747695"
                              z3="0.871484"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.037729"
                              y3="0.549373"
                              z3="-0.886311"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.688227"
                              y3="-3.651302"
                              z3="-0.037076"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.013353"
                              y3="-4.126285"
                              z3="0.745227"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.829451"
                              y3="-4.220861"
                              z3="-0.81044"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.04889"
                              y3="-5.230077"
                              z3="-2.324221"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.378845"
                              y3="-5.817005"
                              z3="-2.681322"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.850456"
                              y3="-5.414991"
                              z3="-2.81805"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.556416"
                              y3="-4.792282"
                              z3="2.367803"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.90905"
                              y3="-5.0874"
                              z3="3.012623"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.320255"
                              y3="-5.36098"
                              z3="2.489457"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187166"
                              y3="-0.882506"
                              z3="-0.19236"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.917913"
                              y3="-1.392082"
                              z3="-0.136302"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836481"
                              y3="-0.49675"
                              z3="-0.023403"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04777"
                              y3="0.893194"
                              z3="0.031186"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37563"
                              y3="1.38385"
                              z3="-0.030603"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421157"
                              y3="0.511933"
                              z3="-0.13999"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.7261"
                              y3="-2.457355"
                              z3="-0.172915"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087847"
                              y3="1.726223"
                              z3="0.143543"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54267"
                              y3="2.453657"
                              z3="0.010582"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437129"
                              y3="0.883033"
                              z3="-0.187036"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349784"
                              y3="1.195548"
                              z3="0.200786"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52215"
                              y3="-0.196945"
                              z3="0.14683"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051659"
                              y3="2.80101"
                              z3="0.184462"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217111"
                              y3="1.832816"
                              z3="0.285089"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449236"
                              y3="-0.969699"
                              z3="0.034491"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.581182"
                              y3="-2.007076"
                              z3="-0.013706"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.030074"
                              y3="-1.557452"
                              z3="-0.277994"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.854662"
                              y3="-0.890538"
                              z3="0.229607"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.864022"
                              y3="-1.684984"
                              z3="-0.520649"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.892706"
                              y3="-1.398734"
                              z3="1.198949"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.067143"
                              y3="0.018494"
                              z3="0.064727"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.977343"
                              y3="-0.580354"
                              z3="0.083234"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139965"
                              y3="0.747874"
                              z3="0.872951"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.039586"
                              y3="0.554864"
                              z3="-0.885565"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.689071"
                              y3="-3.650845"
                              z3="-0.036988"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.009627"
                              y3="-4.127486"
                              z3="0.746177"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.832073"
                              y3="-4.21988"
                              z3="-0.810416"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.053412"
                              y3="-5.226224"
                              z3="-2.325319"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.387441"
                              y3="-5.821573"
                              z3="-2.676106"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.856106"
                              y3="-5.410549"
                              z3="-2.817542"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.54522"
                              y3="-4.797755"
                              z3="2.36954"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.895683"
                              y3="-5.091309"
                              z3="3.012911"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.307677"
                              y3="-5.367829"
                              z3="2.493358"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.186832"
                              y3="-0.882921"
                              z3="-0.190442"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.917455"
                              y3="-1.392264"
                              z3="-0.135104"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836091"
                              y3="-0.496712"
                              z3="-0.023157"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.047587"
                              y3="0.893217"
                              z3="0.03118"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375584"
                              y3="1.383625"
                              z3="-0.029813"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421034"
                              y3="0.511497"
                              z3="-0.138253"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.725469"
                              y3="-2.457509"
                              z3="-0.171643"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087954"
                              y3="1.726473"
                              z3="0.142485"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542777"
                              y3="2.453415"
                              z3="0.011202"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437107"
                              y3="0.882402"
                              z3="-0.184701"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350041"
                              y3="1.196041"
                              z3="0.19895"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.522612"
                              y3="-0.196425"
                              z3="0.145296"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051712"
                              y3="2.801248"
                              z3="0.183203"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217307"
                              y3="1.833496"
                              z3="0.282441"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449742"
                              y3="-0.969413"
                              z3="0.034016"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.581822"
                              y3="-2.006793"
                              z3="-0.013776"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.029683"
                              y3="-1.558035"
                              z3="-0.275372"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.855294"
                              y3="-0.889828"
                              z3="0.227068"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.86509"
                              y3="-1.682613"
                              z3="-0.524957"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.893138"
                              y3="-1.400195"
                              z3="1.195265"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.067626"
                              y3="0.019804"
                              z3="0.064533"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.977979"
                              y3="-0.57882"
                              z3="0.08272"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139632"
                              y3="0.747911"
                              z3="0.87399"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.040635"
                              y3="0.557682"
                              z3="-0.884925"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.689701"
                              y3="-3.650516"
                              z3="-0.036902"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008009"
                              y3="-4.128024"
                              z3="0.746665"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.833195"
                              y3="-4.219453"
                              z3="-0.810311"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.055479"
                              y3="-5.224808"
                              z3="-2.325367"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.39141"
                              y3="-5.823797"
                              z3="-2.673581"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.858663"
                              y3="-5.408448"
                              z3="-2.817063"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.539912"
                              y3="-4.800618"
                              z3="2.370246"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.889363"
                              y3="-5.094111"
                              z3="3.012628"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.302024"
                              y3="-5.370941"
                              z3="2.495009"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.186925"
                              y3="-0.882798"
                              z3="-0.190595"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.917568"
                              y3="-1.392191"
                              z3="-0.135255"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836179"
                              y3="-0.496686"
                              z3="-0.02322"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.047626"
                              y3="0.893246"
                              z3="0.031207"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375603"
                              y3="1.383705"
                              z3="-0.029793"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.42108"
                              y3="0.511623"
                              z3="-0.138321"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.725623"
                              y3="-2.45744"
                              z3="-0.171854"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087942"
                              y3="1.726452"
                              z3="0.142614"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54276"
                              y3="2.453498"
                              z3="0.011291"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437137"
                              y3="0.882568"
                              z3="-0.184772"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350009"
                              y3="1.195969"
                              z3="0.199088"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.522531"
                              y3="-0.196498"
                              z3="0.14534"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051686"
                              y3="2.801228"
                              z3="0.183406"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217297"
                              y3="1.833386"
                              z3="0.282654"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.449635"
                              y3="-0.969438"
                              z3="0.033964"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.581682"
                              y3="-2.006823"
                              z3="-0.013851"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.029796"
                              y3="-1.557875"
                              z3="-0.275591"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.855183"
                              y3="-0.889958"
                              z3="0.22713"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.864941"
                              y3="-1.682764"
                              z3="-0.524874"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.893006"
                              y3="-1.400307"
                              z3="1.195341"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.067553"
                              y3="0.019616"
                              z3="0.064573"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.977874"
                              y3="-0.579058"
                              z3="0.082725"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139623"
                              y3="0.747707"
                              z3="0.874038"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.040561"
                              y3="0.55751"
                              z3="-0.88488"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.689666"
                              y3="-3.650515"
                              z3="-0.036996"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008156"
                              y3="-4.12793"
                              z3="0.746551"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.83315"
                              y3="-4.219467"
                              z3="-0.810397"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.055477"
                              y3="-5.224876"
                              z3="-2.325279"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.391467"
                              y3="-5.823964"
                              z3="-2.673441"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.858725"
                              y3="-5.408576"
                              z3="-2.816852"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.540382"
                              y3="-4.800308"
                              z3="2.370164"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.889919"
                              y3="-5.093814"
                              z3="3.012627"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.302503"
                              y3="-5.370651"
                              z3="2.494788"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.188444"
                              y3="-0.880707"
                              z3="-0.191791"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.919395"
                              y3="-1.390814"
                              z3="-0.136329"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.837539"
                              y3="-0.495992"
                              z3="-0.023649"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048256"
                              y3="0.894023"
                              z3="0.031329"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375967"
                              y3="1.385239"
                              z3="-0.029772"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.421867"
                              y3="0.51381"
                              z3="-0.138952"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.728064"
                              y3="-2.456147"
                              z3="-0.173339"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087726"
                              y3="1.726541"
                              z3="0.143368"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542546"
                              y3="2.455092"
                              z3="0.011771"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437709"
                              y3="0.885328"
                              z3="-0.185487"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349534"
                              y3="1.195336"
                              z3="0.199794"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.521302"
                              y3="-0.197171"
                              z3="0.145472"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051325"
                              y3="2.801368"
                              z3="0.184647"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21719"
                              y3="1.832237"
                              z3="0.28365"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.447971"
                              y3="-0.969496"
                              z3="0.033674"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.579504"
                              y3="-2.00706"
                              z3="-0.013791"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.031637"
                              y3="-1.555259"
                              z3="-0.277329"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.853553"
                              y3="-0.89142"
                              z3="0.227135"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.862647"
                              y3="-1.684176"
                              z3="-0.524887"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.891249"
                              y3="-1.402037"
                              z3="1.195263"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.066451"
                              y3="0.017335"
                              z3="0.064465"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.976272"
                              y3="-0.582111"
                              z3="0.081948"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139496"
                              y3="0.745021"
                              z3="0.874229"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.039394"
                              y3="0.555716"
                              z3="-0.88479"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.68983"
                              y3="-3.650095"
                              z3="-0.037126"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.009737"
                              y3="-4.126786"
                              z3="0.746312"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.83246"
                              y3="-4.21948"
                              z3="-0.810389"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.056934"
                              y3="-5.22424"
                              z3="-2.323248"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.395318"
                              y3="-5.825622"
                              z3="-2.672061"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.86248"
                              y3="-5.408542"
                              z3="-2.810867"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.545408"
                              y3="-4.799748"
                              z3="2.36939"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.896255"
                              y3="-5.09439"
                              z3="3.012682"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.307338"
                              y3="-5.371183"
                              z3="2.490205"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.187779"
                              y3="-0.881521"
                              z3="-0.191276"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.918579"
                              y3="-1.39128"
                              z3="-0.135942"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.836947"
                              y3="-0.496157"
                              z3="-0.023527"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.048018"
                              y3="0.893806"
                              z3="0.03133"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375862"
                              y3="1.38466"
                              z3="-0.02962"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.42156"
                              y3="0.512934"
                              z3="-0.138557"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.72697"
                              y3="-2.456567"
                              z3="-0.172893"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087769"
                              y3="1.726643"
                              z3="0.143132"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.542719"
                              y3="2.454472"
                              z3="0.011832"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.437507"
                              y3="0.884177"
                              z3="-0.184989"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349715"
                              y3="1.195788"
                              z3="0.199394"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.521848"
                              y3="-0.196685"
                              z3="0.145154"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.051563"
                              y3="2.801435"
                              z3="0.184358"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217216"
                              y3="1.832923"
                              z3="0.283092"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.448705"
                              y3="-0.969304"
                              z3="0.03364"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.580499"
                              y3="-2.006799"
                              z3="-0.013795"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.030811"
                              y3="-1.55631"
                              z3="-0.27663"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.854317"
                              y3="-0.890546"
                              z3="0.226479"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.863703"
                              y3="-1.682863"
                              z3="-0.526024"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.892141"
                              y3="-1.401712"
                              z3="1.194305"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.066933"
                              y3="0.018715"
                              z3="0.064375"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.976971"
                              y3="-0.580406"
                              z3="0.081625"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139633"
                              y3="0.746001"
                              z3="0.874525"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.039794"
                              y3="0.557571"
                              z3="-0.884587"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.690908"
                              y3="-3.64985"
                              z3="-0.037205"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.009484"
                              y3="-4.127063"
                              z3="0.746436"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.833874"
                              y3="-4.219122"
                              z3="-0.810484"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.056386"
                              y3="-5.225032"
                              z3="-2.322773"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.393514"
                              y3="-5.825064"
                              z3="-2.671499"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.860979"
                              y3="-5.409325"
                              z3="-2.811961"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.542357"
                              y3="-4.800938"
                              z3="2.369875"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.892111"
                              y3="-5.096608"
                              z3="3.011579"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.304758"
                              y3="-5.371402"
                              z3="2.492158"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.184079"
                              y3="-0.885476"
                              z3="-0.187906"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.914013"
                              y3="-1.39324"
                              z3="-0.134244"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.833643"
                              y3="-0.496423"
                              z3="-0.023455"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046799"
                              y3="0.89321"
                              z3="0.031441"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375478"
                              y3="1.38198"
                              z3="-0.027713"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419965"
                              y3="0.508608"
                              z3="-0.135052"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.720733"
                              y3="-2.458213"
                              z3="-0.171421"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087847"
                              y3="1.727823"
                              z3="0.141637"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.543953"
                              y3="2.451534"
                              z3="0.013815"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436544"
                              y3="0.87826"
                              z3="-0.180122"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350686"
                              y3="1.198937"
                              z3="0.196228"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524914"
                              y3="-0.193279"
                              z3="0.141893"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053092"
                              y3="2.8024"
                              z3="0.183011"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217299"
                              y3="1.837412"
                              z3="0.278888"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.452802"
                              y3="-0.967571"
                              z3="0.032085"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.586047"
                              y3="-2.004817"
                              z3="-0.015313"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.026166"
                              y3="-1.561589"
                              z3="-0.272046"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858646"
                              y3="-0.885067"
                              z3="0.220563"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.870629"
                              y3="-1.672271"
                              z3="-0.537294"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.896128"
                              y3="-1.402684"
                              z3="1.184912"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069706"
                              y3="0.027541"
                              z3="0.066129"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.980971"
                              y3="-0.569755"
                              z3="0.082315"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.138819"
                              y3="0.75067"
                              z3="0.880296"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.043794"
                              y3="0.571351"
                              z3="-0.880009"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.698141"
                              y3="-3.647772"
                              z3="-0.03898"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008311"
                              y3="-4.127698"
                              z3="0.746398"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.840858"
                              y3="-4.218156"
                              z3="-0.811482"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.053463"
                              y3="-5.233764"
                              z3="-2.31831"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.383911"
                              y3="-5.826491"
                              z3="-2.666723"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.853191"
                              y3="-5.419759"
                              z3="-2.814773"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.524598"
                              y3="-4.80805"
                              z3="2.371246"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.868968"
                              y3="-5.110364"
                              z3="3.004382"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.290032"
                              y3="-5.372717"
                              z3="2.501134"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.183629"
                              y3="-0.885941"
                              z3="-0.187926"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.913467"
                              y3="-1.393458"
                              z3="-0.134129"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.833269"
                              y3="-0.496429"
                              z3="-0.023424"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046701"
                              y3="0.89317"
                              z3="0.03127"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375475"
                              y3="1.381678"
                              z3="-0.02799"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41979"
                              y3="0.508101"
                              z3="-0.135272"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.719982"
                              y3="-2.458397"
                              z3="-0.171152"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087772"
                              y3="1.728021"
                              z3="0.141339"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544156"
                              y3="2.451204"
                              z3="0.013388"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436441"
                              y3="0.877552"
                              z3="-0.180442"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350721"
                              y3="1.199396"
                              z3="0.195972"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525229"
                              y3="-0.192789"
                              z3="0.141851"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.053385"
                              y3="2.802575"
                              z3="0.182555"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.217199"
                              y3="1.838059"
                              z3="0.278516"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.453269"
                              y3="-0.967314"
                              z3="0.032192"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.586734"
                              y3="-2.004531"
                              z3="-0.015039"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.025583"
                              y3="-1.562222"
                              z3="-0.27202"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859095"
                              y3="-0.884325"
                              z3="0.220526"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.871357"
                              y3="-1.671274"
                              z3="-0.537593"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.896508"
                              y3="-1.402276"
                              z3="1.184696"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070006"
                              y3="0.028545"
                              z3="0.066618"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981382"
                              y3="-0.568578"
                              z3="0.082735"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.138853"
                              y3="0.751389"
                              z3="0.881045"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.044152"
                              y3="0.572676"
                              z3="-0.879319"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.699329"
                              y3="-3.647455"
                              z3="-0.038964"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.008838"
                              y3="-4.127729"
                              z3="0.746457"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.841366"
                              y3="-4.218077"
                              z3="-0.811399"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.052107"
                              y3="-5.234961"
                              z3="-2.317434"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.380833"
                              y3="-5.825228"
                              z3="-2.666687"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.850961"
                              y3="-5.42164"
                              z3="-2.815053"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.523864"
                              y3="-4.809199"
                              z3="2.37129"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.867901"
                              y3="-5.112723"
                              z3="3.003516"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.289702"
                              y3="-5.373246"
                              z3="2.501405"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.182112"
                              y3="-0.887519"
                              z3="-0.18816"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.911641"
                              y3="-1.39421"
                              z3="-0.13391"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.832032"
                              y3="-0.496486"
                              z3="-0.023324"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04639"
                              y3="0.892986"
                              z3="0.030844"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375478"
                              y3="1.380623"
                              z3="-0.028794"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.419197"
                              y3="0.506374"
                              z3="-0.136032"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.717459"
                              y3="-2.459026"
                              z3="-0.170514"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.087516"
                              y3="1.728622"
                              z3="0.140665"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.544849"
                              y3="2.450046"
                              z3="0.012193"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.436079"
                              y3="0.875155"
                              z3="-0.181543"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350834"
                              y3="1.200858"
                              z3="0.195456"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526271"
                              y3="-0.191214"
                              z3="0.141878"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.054362"
                              y3="2.803096"
                              z3="0.181463"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.216878"
                              y3="1.840143"
                              z3="0.277737"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45481"
                              y3="-0.966508"
                              z3="0.032556"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.588954"
                              y3="-2.00365"
                              z3="-0.014249"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.023607"
                              y3="-1.56435"
                              z3="-0.272216"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860581"
                              y3="-0.881908"
                              z3="0.220645"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.873509"
                              y3="-1.668558"
                              z3="-0.53776"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.898064"
                              y3="-1.400256"
                              z3="1.184604"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070966"
                              y3="0.031688"
                              z3="0.067435"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98268"
                              y3="-0.564901"
                              z3="0.083487"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.139233"
                              y3="0.75419"
                              z3="0.882161"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.045008"
                              y3="0.576197"
                              z3="-0.878245"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.703034"
                              y3="-3.646511"
                              z3="-0.03869"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.010339"
                              y3="-4.128034"
                              z3="0.746831"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.84255"
                              y3="-4.217866"
                              z3="-0.810962"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.047655"
                              y3="-5.237066"
                              z3="-2.315511"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.371602"
                              y3="-5.82074"
                              z3="-2.666667"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.844551"
                              y3="-5.427657"
                              z3="-2.814788"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.521279"
                              y3="-4.813228"
                              z3="2.371505"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.864188"
                              y3="-5.11983"
                              z3="3.00114"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.288005"
                              y3="-5.375891"
                              z3="2.502291"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.178465"
                              y3="-0.891269"
                              z3="-0.190544"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.907285"
                              y3="-1.395978"
                              z3="-0.134481"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.829153"
                              y3="-0.496584"
                              z3="-0.023424"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045732"
                              y3="0.89258"
                              z3="0.029511"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375519"
                              y3="1.378139"
                              z3="-0.031815"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.417766"
                              y3="0.502275"
                              z3="-0.139674"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.71142"
                              y3="-2.46051"
                              z3="-0.1700"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.086773"
                              y3="1.730069"
                              z3="0.139552"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546565"
                              y3="2.447324"
                              z3="0.008244"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.435168"
                              y3="0.869471"
                              z3="-0.186592"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350908"
                              y3="1.204332"
                              z3="0.195524"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.528586"
                              y3="-0.187498"
                              z3="0.143189"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05683"
                              y3="2.804355"
                              z3="0.179364"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.215884"
                              y3="1.845072"
                              z3="0.2778"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458379"
                              y3="-0.964576"
                              z3="0.033857"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.594135"
                              y3="-2.001521"
                              z3="-0.012165"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.018823"
                              y3="-1.569418"
                              z3="-0.275079"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.863942"
                              y3="-0.876086"
                              z3="0.223028"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.878385"
                              y3="-1.663202"
                              z3="-0.534849"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.901758"
                              y3="-1.393861"
                              z3="1.187307"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.073019"
                              y3="0.039115"
                              z3="0.069872"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.985573"
                              y3="-0.556138"
                              z3="0.08632"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.140127"
                              y3="0.761935"
                              z3="0.884295"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.0465"
                              y3="0.583216"
                              z3="-0.875938"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.712351"
                              y3="-3.644187"
                              z3="-0.037467"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.015764"
                              y3="-4.128743"
                              z3="0.747704"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.843759"
                              y3="-4.217439"
                              z3="-0.809596"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.032509"
                              y3="-5.240775"
                              z3="-2.312028"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.344864"
                              y3="-5.808231"
                              z3="-2.667371"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.82578"
                              y3="-5.445186"
                              z3="-2.811625"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.52002"
                              y3="-4.823009"
                              z3="2.370835"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.861194"
                              y3="-5.134909"
                              z3="2.996192"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.287816"
                              y3="-5.384194"
                              z3="2.501583"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173185"
                              y3="-0.896711"
                              z3="-0.195729"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90101"
                              y3="-1.398576"
                              z3="-0.136842"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825033"
                              y3="-0.496784"
                              z3="-0.024512"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04477"
                              y3="0.891924"
                              z3="0.027003"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37551"
                              y3="1.374524"
                              z3="-0.03713"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.415632"
                              y3="0.496339"
                              z3="-0.146396"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.702734"
                              y3="-2.462703"
                              z3="-0.170921"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.085726"
                              y3="1.731996"
                              z3="0.138334"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.548968"
                              y3="2.443363"
                              z3="0.00184"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.433745"
                              y3="0.861281"
                              z3="-0.195536"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350926"
                              y3="1.209074"
                              z3="0.196677"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.531794"
                              y3="-0.182421"
                              z3="0.145624"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060301"
                              y3="2.806005"
                              z3="0.177087"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.214354"
                              y3="1.851806"
                              z3="0.279852"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.463425"
                              y3="-0.961941"
                              z3="0.035263"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.601451"
                              y3="-1.998545"
                              z3="-0.01012"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011898"
                              y3="-1.576747"
                              z3="-0.281312"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.868618"
                              y3="-0.867945"
                              z3="0.22746"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88594"
                              y3="-1.655094"
                              z3="-0.530328"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.906231"
                              y3="-1.385645"
                              z3="1.191801"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.075801"
                              y3="0.049955"
                              z3="0.076004"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.989692"
                              y3="-0.543181"
                              z3="0.093682"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.140192"
                              y3="0.772918"
                              z3="0.890404"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.049353"
                              y3="0.593873"
                              z3="-0.869802"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.726248"
                              y3="-3.640915"
                              z3="-0.035965"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.025805"
                              y3="-4.129492"
                              z3="0.748184"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.843189"
                              y3="-4.217335"
                              z3="-0.807936"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-1.004092"
                              y3="-5.245341"
                              z3="-2.309067"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.301105"
                              y3="-5.791645"
                              z3="-2.667663"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.793137"
                              y3="-5.47456"
                              z3="-2.804583"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.524141"
                              y3="-4.835296"
                              z3="2.368199"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.864015"
                              y3="-5.152206"
                              z3="2.989817"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.292852"
                              y3="-5.395405"
                              z3="2.49814"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.16758"
                              y3="-0.902657"
                              z3="-0.203976"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.894427"
                              y3="-1.401514"
                              z3="-0.140866"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.820768"
                              y3="-0.497146"
                              z3="-0.026874"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043782"
                              y3="0.891116"
                              z3="0.022228"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375431"
                              y3="1.370611"
                              z3="-0.046274"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413283"
                              y3="0.489929"
                              z3="-0.157294"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.693663"
                              y3="-2.465256"
                              z3="-0.172505"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084541"
                              y3="1.73388"
                              z3="0.135715"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.551414"
                              y3="2.439121"
                              z3="-0.009186"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.432079"
                              y3="0.85251"
                              z3="-0.209766"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350708"
                              y3="1.213843"
                              z3="0.198302"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.534896"
                              y3="-0.177348"
                              z3="0.149377"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.063979"
                              y3="2.807625"
                              z3="0.172698"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.212449"
                              y3="1.858623"
                              z3="0.28321"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.468544"
                              y3="-0.959378"
                              z3="0.037019"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.609013"
                              y3="-1.995581"
                              z3="-0.007427"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.004542"
                              y3="-1.584723"
                              z3="-0.290815"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.873136"
                              y3="-0.859665"
                              z3="0.234934"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.894988"
                              y3="-1.645811"
                              z3="-0.523823"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.908738"
                              y3="-1.37857"
                              z3="1.198687"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.078507"
                              y3="0.061466"
                              z3="0.088761"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.993898"
                              y3="-0.529258"
                              z3="0.109365"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.137938"
                              y3="0.783966"
                              z3="0.903868"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.054262"
                              y3="0.605917"
                              z3="-0.856679"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.742689"
                              y3="-3.637476"
                              z3="-0.033962"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.041763"
                              y3="-4.130352"
                              z3="0.747628"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.838845"
                              y3="-4.217328"
                              z3="-0.806208"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.960757"
                              y3="-5.247013"
                              z3="-2.309022"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.241716"
                              y3="-5.773485"
                              z3="-2.665544"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.744702"
                              y3="-5.51031"
                              z3="-2.795645"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.540918"
                              y3="-4.84726"
                              z3="2.362411"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.881854"
                              y3="-5.168441"
                              z3="2.983108"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.311386"
                              y3="-5.405465"
                              z3="2.490081"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.163502"
                              y3="-0.907876"
                              z3="-0.212639"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.889802"
                              y3="-1.404538"
                              z3="-0.14369"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.817828"
                              y3="-0.498158"
                              z3="-0.02932"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043055"
                              y3="0.88992"
                              z3="0.01444"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.375177"
                              y3="1.367172"
                              z3="-0.060203"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.411384"
                              y3="0.48453"
                              z3="-0.17163"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.6874"
                              y3="-2.468113"
                              z3="-0.170601"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083658"
                              y3="1.734713"
                              z3="0.129317"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.552878"
                              y3="2.435556"
                              z3="-0.027287"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430541"
                              y3="0.845405"
                              z3="-0.228675"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.350281"
                              y3="1.216696"
                              z3="0.198389"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.536699"
                              y3="-0.174419"
                              z3="0.154459"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.066516"
                              y3="2.808372"
                              z3="0.162273"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210755"
                              y3="1.862989"
                              z3="0.284608"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.47188"
                              y3="-0.958313"
                              z3="0.040554"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.614213"
                              y3="-1.994256"
                              z3="-0.001367"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.999202"
                              y3="-1.591532"
                              z3="-0.299642"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.875641"
                              y3="-0.8545"
                              z3="0.246463"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.902545"
                              y3="-1.640351"
                              z3="-0.512487"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.907272"
                              y3="-1.373705"
                              z3="1.210143"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.08016"
                              y3="0.068794"
                              z3="0.106604"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.996547"
                              y3="-0.520187"
                              z3="0.132827"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133505"
                              y3="0.792011"
                              z3="0.921518"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.060426"
                              y3="0.612442"
                              z3="-0.839356"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.757029"
                              y3="-3.63544"
                              z3="-0.029914"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.061312"
                              y3="-4.132587"
                              z3="0.746845"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.830563"
                              y3="-4.216381"
                              z3="-0.803925"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.910208"
                              y3="-5.237011"
                              z3="-2.315699"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.178574"
                              y3="-5.75287"
                              z3="-2.661965"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.68847"
                              y3="-5.535036"
                              z3="-2.791322"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.570927"
                              y3="-4.856762"
                              z3="2.354877"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.916329"
                              y3="-5.182265"
                              z3="2.978112"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.345588"
                              y3="-5.409728"
                              z3="2.479824"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.162903"
                              y3="-0.910756"
                              z3="-0.216395"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.88941"
                              y3="-1.406948"
                              z3="-0.140743"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.817658"
                              y3="-0.499846"
                              z3="-0.029403"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.042894"
                              y3="0.888505"
                              z3="0.004669"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374757"
                              y3="1.365301"
                              z3="-0.076996"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.410756"
                              y3="0.481941"
                              z3="-0.185367"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.687081"
                              y3="-2.470717"
                              z3="-0.159891"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.08354"
                              y3="1.733939"
                              z3="0.117739"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.552483"
                              y3="2.433901"
                              z3="-0.051605"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.429729"
                              y3="0.842475"
                              z3="-0.247569"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349807"
                              y3="1.216258"
                              z3="0.194625"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.536217"
                              y3="-0.175147"
                              z3="0.160209"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.066608"
                              y3="2.807803"
                              z3="0.143206"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210044"
                              y3="1.862982"
                              z3="0.279728"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.471732"
                              y3="-0.959614"
                              z3="0.047451"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.614578"
                              y3="-1.995626"
                              z3="0.010904"/>
                        <atom elementType="H"
                              id="a17"
                              x3="3.998458"
                              y3="-1.59498"
                              z3="-0.300907"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.874657"
                              y3="-0.854864"
                              z3="0.261236"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.904379"
                              y3="-1.644883"
                              z3="-0.493293"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.902261"
                              y3="-1.368712"
                              z3="1.227864"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.07991"
                              y3="0.067589"
                              z3="0.121234"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.99614"
                              y3="-0.521271"
                              z3="0.155263"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129533"
                              y3="0.795871"
                              z3="0.932003"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.064589"
                              y3="0.605395"
                              z3="-0.828213"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.763658"
                              y3="-3.635944"
                              z3="-0.021689"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.077457"
                              y3="-4.137622"
                              z3="0.748243"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.821529"
                              y3="-4.212986"
                              z3="-0.800129"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.871599"
                              y3="-5.208907"
                              z3="-2.330445"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.135607"
                              y3="-5.728279"
                              z3="-2.661846"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.64704"
                              y3="-5.529498"
                              z3="-2.795971"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.603082"
                              y3="-4.865497"
                              z3="2.348955"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.954958"
                              y3="-5.198145"
                              z3="2.975066"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.385719"
                              y3="-5.407149"
                              z3="2.473596"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.166373"
                              y3="-0.909538"
                              z3="-0.212493"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.893784"
                              y3="-1.40735"
                              z3="-0.132489"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.820575"
                              y3="-0.501297"
                              z3="-0.026296"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043451"
                              y3="0.887643"
                              z3="-0.001765"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374398"
                              y3="1.366125"
                              z3="-0.087933"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.411846"
                              y3="0.483769"
                              z3="-0.191102"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.693307"
                              y3="-2.471579"
                              z3="-0.144464"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084287"
                              y3="1.731898"
                              z3="0.106963"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.550319"
                              y3="2.435173"
                              z3="-0.069919"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430142"
                              y3="0.845599"
                              z3="-0.256564"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349505"
                              y3="1.212593"
                              z3="0.189153"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.53353"
                              y3="-0.179319"
                              z3="0.164376"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.064051"
                              y3="2.806147"
                              z3="0.124988"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210758"
                              y3="1.858344"
                              z3="0.271045"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.467935"
                              y3="-0.962689"
                              z3="0.055091"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.609459"
                              y3="-1.999084"
                              z3="0.024573"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.003052"
                              y3="-1.592928"
                              z3="-0.292948"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.870499"
                              y3="-0.860605"
                              z3="0.273057"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.898162"
                              y3="-1.65991"
                              z3="-0.471659"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.897377"
                              y3="-1.362347"
                              z3="1.246053"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.07768"
                              y3="0.057688"
                              z3="0.121396"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.99263"
                              y3="-0.532793"
                              z3="0.161702"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129532"
                              y3="0.79537"
                              z3="0.923715"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.062738"
                              y3="0.584516"
                              z3="-0.834409"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.756512"
                              y3="-3.639146"
                              z3="-0.01152"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.07948"
                              y3="-4.143297"
                              z3="0.752991"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.816775"
                              y3="-4.20858"
                              z3="-0.795591"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869251"
                              y3="-5.177248"
                              z3="-2.344846"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.138747"
                              y3="-5.707091"
                              z3="-2.671733"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.648502"
                              y3="-5.494046"
                              z3="-2.806698"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.618288"
                              y3="-4.870721"
                              z3="2.348306"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.975294"
                              y3="-5.211843"
                              z3="2.974812"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.409658"
                              y3="-5.398886"
                              z3="2.475736"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.168193"
                              y3="-0.90764"
                              z3="-0.212539"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.89603"
                              y3="-1.406558"
                              z3="-0.132348"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822128"
                              y3="-0.501442"
                              z3="-0.025612"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043848"
                              y3="0.88766"
                              z3="-0.000611"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374369"
                              y3="1.367284"
                              z3="-0.086952"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.412519"
                              y3="0.485832"
                              z3="-0.190735"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.696413"
                              y3="-2.470933"
                              z3="-0.144756"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084585"
                              y3="1.730927"
                              z3="0.10859"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.549423"
                              y3="2.436452"
                              z3="-0.068621"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430491"
                              y3="0.848543"
                              z3="-0.256416"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349354"
                              y3="1.210531"
                              z3="0.19067"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.532229"
                              y3="-0.181519"
                              z3="0.165231"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.062881"
                              y3="2.805272"
                              z3="0.127077"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21117"
                              y3="1.855486"
                              z3="0.272861"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.466024"
                              y3="-0.963947"
                              z3="0.055562"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606673"
                              y3="-2.000495"
                              z3="0.02465"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.005406"
                              y3="-1.590282"
                              z3="-0.293504"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.868624"
                              y3="-0.863794"
                              z3="0.2743"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.894417"
                              y3="-1.665766"
                              z3="-0.467594"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.89648"
                              y3="-1.362015"
                              z3="1.249117"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.076453"
                              y3="0.052882"
                              z3="0.11768"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.990836"
                              y3="-0.538493"
                              z3="0.157642"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130799"
                              y3="0.792558"
                              z3="0.918032"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.059998"
                              y3="0.577368"
                              z3="-0.839459"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.749995"
                              y3="-3.640878"
                              z3="-0.010794"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.076159"
                              y3="-4.142953"
                              z3="0.75369"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.817242"
                              y3="-4.209043"
                              z3="-0.795347"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.87689"
                              y3="-5.175985"
                              z3="-2.346592"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.148824"
                              y3="-5.706705"
                              z3="-2.677404"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.658425"
                              y3="-5.485254"
                              z3="-2.809668"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.619323"
                              y3="-4.865782"
                              z3="2.349431"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.978296"
                              y3="-5.208584"
                              z3="2.976701"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.414204"
                              y3="-5.388158"
                              z3="2.479246"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.168374"
                              y3="-0.907148"
                              z3="-0.21382"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.896277"
                              y3="-1.406265"
                              z3="-0.133833"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822344"
                              y3="-0.501362"
                              z3="-0.026029"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.043965"
                              y3="0.887731"
                              z3="0.000282"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374427"
                              y3="1.367553"
                              z3="-0.085779"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.412606"
                              y3="0.486308"
                              z3="-0.190671"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.696745"
                              y3="-2.470639"
                              z3="-0.147266"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084513"
                              y3="1.730815"
                              z3="0.110335"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.5494"
                              y3="2.43671"
                              z3="-0.066417"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430528"
                              y3="0.849173"
                              z3="-0.256212"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349263"
                              y3="1.210264"
                              z3="0.191864"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.532032"
                              y3="-0.181763"
                              z3="0.165138"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.062893"
                              y3="2.805146"
                              z3="0.129865"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.211129"
                              y3="1.855082"
                              z3="0.27462"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.46577"
                              y3="-0.964026"
                              z3="0.054796"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606391"
                              y3="-2.000567"
                              z3="0.023199"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.005606"
                              y3="-1.589618"
                              z3="-0.295689"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.868363"
                              y3="-0.864279"
                              z3="0.273638"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.894014"
                              y3="-1.665724"
                              z3="-0.468823"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.896206"
                              y3="-1.363239"
                              z3="1.248092"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.076294"
                              y3="0.052316"
                              z3="0.117654"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.990575"
                              y3="-0.53927"
                              z3="0.156808"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130965"
                              y3="0.791152"
                              z3="0.918732"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.059702"
                              y3="0.577799"
                              z3="-0.838928"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.749754"
                              y3="-3.640977"
                              z3="-0.011948"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.07629"
                              y3="-4.142104"
                              z3="0.752945"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.817723"
                              y3="-4.209729"
                              z3="-0.796005"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.876902"
                              y3="-5.177865"
                              z3="-2.346573"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.148864"
                              y3="-5.709055"
                              z3="-2.676634"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.658362"
                              y3="-5.488178"
                              z3="-2.809082"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.619757"
                              y3="-4.863346"
                              z3="2.349633"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.979395"
                              y3="-5.207335"
                              z3="2.976897"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.416202"
                              y3="-5.382988"
                              z3="2.480742"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.168486"
                              y3="-0.906965"
                              z3="-0.213732"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.896406"
                              y3="-1.406135"
                              z3="-0.133932"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822441"
                              y3="-0.501287"
                              z3="-0.026154"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.044025"
                              y3="0.887813"
                              z3="0.000312"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374481"
                              y3="1.367688"
                              z3="-0.085518"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.412683"
                              y3="0.486497"
                              z3="-0.190387"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.69691"
                              y3="-2.470516"
                              z3="-0.147509"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084479"
                              y3="1.730859"
                              z3="0.110286"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.549419"
                              y3="2.436849"
                              z3="-0.066013"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430596"
                              y3="0.849403"
                              z3="-0.255763"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349239"
                              y3="1.210274"
                              z3="0.191581"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.531966"
                              y3="-0.181752"
                              z3="0.164764"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.062901"
                              y3="2.805195"
                              z3="0.129928"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.211133"
                              y3="1.855069"
                              z3="0.274254"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.465664"
                              y3="-0.963987"
                              z3="0.054516"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.606286"
                              y3="-2.000535"
                              z3="0.023051"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.005736"
                              y3="-1.589392"
                              z3="-0.295602"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.868284"
                              y3="-0.864348"
                              z3="0.273033"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.894143"
                              y3="-1.665086"
                              z3="-0.470175"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.89585"
                              y3="-1.364267"
                              z3="1.247003"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.076251"
                              y3="0.052366"
                              z3="0.118271"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.990512"
                              y3="-0.539251"
                              z3="0.157511"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130488"
                              y3="0.790683"
                              z3="0.919867"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.060151"
                              y3="0.578489"
                              z3="-0.837988"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.750318"
                              y3="-3.640832"
                              z3="-0.012172"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.07667"
                              y3="-4.141952"
                              z3="0.75281"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.817453"
                              y3="-4.209982"
                              z3="-0.796002"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.877228"
                              y3="-5.179383"
                              z3="-2.345696"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.149032"
                              y3="-5.709644"
                              z3="-2.676887"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.658634"
                              y3="-5.488733"
                              z3="-2.808949"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.620052"
                              y3="-4.862862"
                              z3="2.34956"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.979768"
                              y3="-5.205913"
                              z3="2.977421"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.415781"
                              y3="-5.383793"
                              z3="2.479843"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.168831"
                              y3="-0.906698"
                              z3="-0.214915"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.896896"
                              y3="-1.40611"
                              z3="-0.134251"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.822818"
                              y3="-0.501454"
                              z3="-0.026016"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.044136"
                              y3="0.887692"
                              z3="0.000039"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374441"
                              y3="1.367816"
                              z3="-0.086713"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.412759"
                              y3="0.486811"
                              z3="-0.192026"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.697614"
                              y3="-2.470532"
                              z3="-0.147478"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084469"
                              y3="1.730541"
                              z3="0.110508"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.549173"
                              y3="2.437014"
                              z3="-0.06755"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430561"
                              y3="0.849907"
                              z3="-0.258103"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.349072"
                              y3="1.209727"
                              z3="0.19267"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.531535"
                              y3="-0.182339"
                              z3="0.166227"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.062714"
                              y3="2.804905"
                              z3="0.129816"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.211049"
                              y3="1.854363"
                              z3="0.275691"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.465162"
                              y3="-0.964385"
                              z3="0.055473"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.605618"
                              y3="-2.00096"
                              z3="0.024076"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.006172"
                              y3="-1.588974"
                              z3="-0.297123"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.867651"
                              y3="-0.865125"
                              z3="0.275661"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.892716"
                              y3="-1.668203"
                              z3="-0.465026"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895694"
                              y3="-1.361916"
                              z3="1.251232"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.075852"
                              y3="0.050693"
                              z3="0.117236"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.989903"
                              y3="-0.541231"
                              z3="0.156674"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131494"
                              y3="0.790833"
                              z3="0.91705"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.058712"
                              y3="0.574619"
                              z3="-0.840212"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.74846"
                              y3="-3.641416"
                              z3="-0.011243"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.076856"
                              y3="-4.142223"
                              z3="0.753058"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.817552"
                              y3="-4.209252"
                              z3="-0.79587"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.875985"
                              y3="-5.174612"
                              z3="-2.348091"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.148119"
                              y3="-5.707551"
                              z3="-2.67572"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.657373"
                              y3="-5.486346"
                              z3="-2.809803"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.623214"
                              y3="-4.86271"
                              z3="2.349185"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.983972"
                              y3="-5.207943"
                              z3="2.976903"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.420956"
                              y3="-5.380372"
                              z3="2.480168"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.169149"
                              y3="-0.906469"
                              z3="-0.215693"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.897337"
                              y3="-1.406067"
                              z3="-0.134216"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82316"
                              y3="-0.501557"
                              z3="-0.02581"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.044259"
                              y3="0.887632"
                              z3="-0.000389"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374438"
                              y3="1.36795"
                              z3="-0.087978"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.412855"
                              y3="0.487084"
                              z3="-0.193464"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.698232"
                              y3="-2.470525"
                              z3="-0.146945"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084436"
                              y3="1.730334"
                              z3="0.110286"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.548999"
                              y3="2.437182"
                              z3="-0.069313"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430564"
                              y3="0.850328"
                              z3="-0.260186"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.348909"
                              y3="1.20934"
                              z3="0.193248"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.531151"
                              y3="-0.18277"
                              z3="0.167422"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.06258"
                              y3="2.804729"
                              z3="0.1291"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210958"
                              y3="1.853861"
                              z3="0.276399"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.464712"
                              y3="-0.964677"
                              z3="0.056443"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.605009"
                              y3="-2.001296"
                              z3="0.02533"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.006565"
                              y3="-1.588632"
                              z3="-0.298047"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.867102"
                              y3="-0.8657"
                              z3="0.277905"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.891633"
                              y3="-1.670571"
                              z3="-0.460838"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.895418"
                              y3="-1.360104"
                              z3="1.254692"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.075492"
                              y3="0.04942"
                              z3="0.116798"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.989382"
                              y3="-0.542717"
                              z3="0.156754"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131981"
                              y3="0.791117"
                              z3="0.915104"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.057791"
                              y3="0.571467"
                              z3="-0.84167"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.74713"
                              y3="-3.64184"
                              z3="-0.010248"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.07728"
                              y3="-4.142574"
                              z3="0.753347"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.816863"
                              y3="-4.208786"
                              z3="-0.795474"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.874981"
                              y3="-5.171348"
                              z3="-2.34946"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.147134"
                              y3="-5.705143"
                              z3="-2.675756"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.656343"
                              y3="-5.484172"
                              z3="-2.81049"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.626753"
                              y3="-4.862734"
                              z3="2.348661"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-0.98841"
                              y3="-5.207641"
                              z3="2.977471"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.424572"
                              y3="-5.38055"
                              z3="2.478546"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.170419"
                              y3="-0.905111"
                              z3="-0.219096"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.899021"
                              y3="-1.405525"
                              z3="-0.136096"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.824449"
                              y3="-0.501705"
                              z3="-0.025987"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.044717"
                              y3="0.887608"
                              z3="-0.000393"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374471"
                              y3="1.368774"
                              z3="-0.089579"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413289"
                              y3="0.488578"
                              z3="-0.19674"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.700571"
                              y3="-2.470106"
                              z3="-0.148836"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084362"
                              y3="1.729592"
                              z3="0.111997"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.548401"
                              y3="2.438105"
                              z3="-0.070784"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430681"
                              y3="0.852474"
                              z3="-0.264687"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.348391"
                              y3="1.207801"
                              z3="0.196418"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.529806"
                              y3="-0.184429"
                              z3="0.170412"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.062027"
                              y3="2.804068"
                              z3="0.130935"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210743"
                              y3="1.85176"
                              z3="0.280807"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.463055"
                              y3="-0.96564"
                              z3="0.057751"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.602762"
                              y3="-2.002351"
                              z3="0.026332"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.008142"
                              y3="-1.58673"
                              z3="-0.302764"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.865205"
                              y3="-0.86809"
                              z3="0.282831"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.888263"
                              y3="-1.676656"
                              z3="-0.451871"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.89411"
                              y3="-1.357521"
                              z3="1.262125"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.074229"
                              y3="0.045215"
                              z3="0.11592"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.987613"
                              y3="-0.547665"
                              z3="0.156483"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133017"
                              y3="0.78995"
                              z3="0.911219"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.055167"
                              y3="0.563577"
                              z3="-0.844525"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.742899"
                              y3="-3.643142"
                              z3="-0.009412"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.078525"
                              y3="-4.142341"
                              z3="0.752793"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.814676"
                              y3="-4.208678"
                              z3="-0.795496"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.873379"
                              y3="-5.167242"
                              z3="-2.35194"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.145644"
                              y3="-5.702564"
                              z3="-2.676013"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.654889"
                              y3="-5.482291"
                              z3="-2.811208"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.63748"
                              y3="-4.857935"
                              z3="2.34708"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.001859"
                              y3="-5.200932"
                              z3="2.979684"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.435415"
                              y3="-5.376276"
                              z3="2.474169"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.171393"
                              y3="-0.904027"
                              z3="-0.221426"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.900302"
                              y3="-1.405061"
                              z3="-0.137436"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825416"
                              y3="-0.50177"
                              z3="-0.026166"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045058"
                              y3="0.887635"
                              z3="-0.000375"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374498"
                              y3="1.369449"
                              z3="-0.090651"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41363"
                              y3="0.489765"
                              z3="-0.198964"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.702352"
                              y3="-2.469734"
                              z3="-0.150206"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084315"
                              y3="1.729067"
                              z3="0.113299"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547946"
                              y3="2.438856"
                              z3="-0.071751"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43079"
                              y3="0.854158"
                              z3="-0.267741"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34801"
                              y3="1.206662"
                              z3="0.198772"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.528796"
                              y3="-0.18566"
                              z3="0.172496"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061591"
                              y3="2.803608"
                              z3="0.132385"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210591"
                              y3="1.850192"
                              z3="0.284124"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.461809"
                              y3="-0.966332"
                              z3="0.058554"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.601055"
                              y3="-2.003112"
                              z3="0.026788"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.009359"
                              y3="-1.585234"
                              z3="-0.305964"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.863782"
                              y3="-0.8699"
                              z3="0.286237"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.885859"
                              y3="-1.680882"
                              z3="-0.445819"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.892993"
                              y3="-1.356078"
                              z3="1.267166"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.073285"
                              y3="0.042124"
                              z3="0.115637"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.9863"
                              y3="-0.551302"
                              z3="0.156533"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133625"
                              y3="0.788722"
                              z3="0.909045"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.053366"
                              y3="0.558181"
                              z3="-0.84602"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.739619"
                              y3="-3.644099"
                              z3="-0.009213"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.079383"
                              y3="-4.142017"
                              z3="0.751985"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.812487"
                              y3="-4.208874"
                              z3="-0.795763"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.872411"
                              y3="-5.165335"
                              z3="-2.353429"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.14487"
                              y3="-5.7014"
                              z3="-2.676737"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.654209"
                              y3="-5.481525"
                              z3="-2.811434"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.645757"
                              y3="-4.853513"
                              z3="2.345885"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.012025"
                              y3="-5.194552"
                              z3="2.981457"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.443086"
                              y3="-5.373443"
                              z3="2.47026"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.171645"
                              y3="-0.903725"
                              z3="-0.222308"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.900634"
                              y3="-1.404933"
                              z3="-0.138111"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.825671"
                              y3="-0.501793"
                              z3="-0.026309"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045149"
                              y3="0.887632"
                              z3="-0.000196"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374503"
                              y3="1.369629"
                              z3="-0.0907"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413715"
                              y3="0.490091"
                              z3="-0.199536"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.702811"
                              y3="-2.469629"
                              z3="-0.151081"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084301"
                              y3="1.728902"
                              z3="0.114018"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547829"
                              y3="2.439054"
                              z3="-0.071554"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430812"
                              y3="0.854624"
                              z3="-0.268488"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347902"
                              y3="1.206319"
                              z3="0.199699"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.528526"
                              y3="-0.186024"
                              z3="0.173092"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061479"
                              y3="2.803456"
                              z3="0.133356"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210541"
                              y3="1.84972"
                              z3="0.285456"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.461481"
                              y3="-0.966534"
                              z3="0.058623"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.600587"
                              y3="-2.003332"
                              z3="0.026638"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.009673"
                              y3="-1.584814"
                              z3="-0.307252"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.863398"
                              y3="-0.870428"
                              z3="0.287109"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.885171"
                              y3="-1.682038"
                              z3="-0.444245"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.892742"
                              y3="-1.355741"
                              z3="1.268464"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.073029"
                              y3="0.041247"
                              z3="0.115447"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.985941"
                              y3="-0.552338"
                              z3="0.156357"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133858"
                              y3="0.788345"
                              z3="0.908351"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.052813"
                              y3="0.556697"
                              z3="-0.846534"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.738613"
                              y3="-3.644379"
                              z3="-0.009303"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.07958"
                              y3="-4.141812"
                              z3="0.751686"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.81177"
                              y3="-4.209074"
                              z3="-0.79589"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.872216"
                              y3="-5.165347"
                              z3="-2.353624"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.144683"
                              y3="-5.701374"
                              z3="-2.677011"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.654083"
                              y3="-5.481785"
                              z3="-2.811328"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.648088"
                              y3="-4.851707"
                              z3="2.345558"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.014851"
                              y3="-5.191924"
                              z3="2.982072"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.445049"
                              y3="-5.372413"
                              z3="2.469073"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173214"
                              y3="-0.901846"
                              z3="-0.22626"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902667"
                              y3="-1.404072"
                              z3="-0.14099"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827212"
                              y3="-0.501816"
                              z3="-0.026997"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045702"
                              y3="0.887739"
                              z3="0.00026"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37458"
                              y3="1.370798"
                              z3="-0.091455"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414288"
                              y3="0.49212"
                              z3="-0.202456"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705621"
                              y3="-2.468909"
                              z3="-0.15462"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084227"
                              y3="1.728071"
                              z3="0.11681"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547161"
                              y3="2.44033"
                              z3="-0.071473"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431028"
                              y3="0.857472"
                              z3="-0.272324"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347318"
                              y3="1.204472"
                              z3="0.203646"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526959"
                              y3="-0.187997"
                              z3="0.175816"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060796"
                              y3="2.802713"
                              z3="0.137042"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210327"
                              y3="1.847144"
                              z3="0.29118"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459519"
                              y3="-0.96759"
                              z3="0.059039"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597894"
                              y3="-2.004482"
                              z3="0.026104"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011629"
                              y3="-1.582239"
                              z3="-0.312844"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861195"
                              y3="-0.873383"
                              z3="0.291268"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881713"
                              y3="-1.687606"
                              z3="-0.437199"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890759"
                              y3="-1.35515"
                              z3="1.274393"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071559"
                              y3="0.036611"
                              z3="0.115586"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983923"
                              y3="-0.55781"
                              z3="0.156698"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134336"
                              y3="0.785614"
                              z3="0.906517"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050438"
                              y3="0.549699"
                              z3="-0.847632"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.733848"
                              y3="-3.645752"
                              z3="-0.00969"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081007"
                              y3="-4.140676"
                              z3="0.75013"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.808543"
                              y3="-4.209947"
                              z3="-0.796507"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.871102"
                              y3="-5.165546"
                              z3="-2.354519"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.143586"
                              y3="-5.70137"
                              z3="-2.678312"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.653219"
                              y3="-5.482469"
                              z3="-2.811485"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.660834"
                              y3="-4.843113"
                              z3="2.343717"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.030571"
                              y3="-5.179318"
                              z3="2.985314"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.456318"
                              y3="-5.367124"
                              z3="2.462773"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17402"
                              y3="-0.900949"
                              z3="-0.228402"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903729"
                              y3="-1.403697"
                              z3="-0.14242"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.8280"
                              y3="-0.501897"
                              z3="-0.027335"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045969"
                              y3="0.887731"
                              z3="0.00031"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374589"
                              y3="1.37134"
                              z3="-0.092165"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414565"
                              y3="0.493103"
                              z3="-0.204252"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707108"
                              y3="-2.46861"
                              z3="-0.156235"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084202"
                              y3="1.72759"
                              z3="0.117992"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546763"
                              y3="2.440933"
                              z3="-0.071889"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431115"
                              y3="0.858873"
                              z3="-0.274702"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347019"
                              y3="1.203474"
                              z3="0.205533"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526137"
                              y3="-0.18906"
                              z3="0.177287"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060423"
                              y3="2.80228"
                              z3="0.13853"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210215"
                              y3="1.84578"
                              z3="0.293912"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458495"
                              y3="-0.968196"
                              z3="0.059406"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596492"
                              y3="-2.005141"
                              z3="0.026157"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012643"
                              y3="-1.580989"
                              z3="-0.315822"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860028"
                              y3="-0.874956"
                              z3="0.293611"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.879953"
                              y3="-1.690483"
                              z3="-0.433386"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88959"
                              y3="-1.354928"
                              z3="1.277616"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070815"
                              y3="0.034133"
                              z3="0.115994"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982876"
                              y3="-0.560736"
                              z3="0.157335"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134535"
                              y3="0.784152"
                              z3="0.905887"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.049356"
                              y3="0.545957"
                              z3="-0.847891"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.731299"
                              y3="-3.646565"
                              z3="-0.00951"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081936"
                              y3="-4.140205"
                              z3="0.749555"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.806719"
                              y3="-4.210357"
                              z3="-0.796552"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869896"
                              y3="-5.165079"
                              z3="-2.3551"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.142219"
                              y3="-5.700703"
                              z3="-2.678853"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.651876"
                              y3="-5.482245"
                              z3="-2.812111"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.668048"
                              y3="-4.838673"
                              z3="2.342753"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.039414"
                              y3="-5.173468"
                              z3="2.986691"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.463105"
                              y3="-5.36384"
                              z3="2.459585"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173297"
                              y3="-0.90179"
                              z3="-0.226591"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902786"
                              y3="-1.404068"
                              z3="-0.141136"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827292"
                              y3="-0.501858"
                              z3="-0.027041"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045723"
                              y3="0.887708"
                              z3="0.000135"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374567"
                              y3="1.370824"
                              z3="-0.091762"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414308"
                              y3="0.492189"
                              z3="-0.202869"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705797"
                              y3="-2.468914"
                              z3="-0.154689"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084227"
                              y3="1.727998"
                              z3="0.116784"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547094"
                              y3="2.440365"
                              z3="-0.071837"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431025"
                              y3="0.857581"
                              z3="-0.27288"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347282"
                              y3="1.20435"
                              z3="0.203784"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526862"
                              y3="-0.188127"
                              z3="0.176029"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060751"
                              y3="2.802646"
                              z3="0.136957"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210308"
                              y3="1.846991"
                              z3="0.291385"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459403"
                              y3="-0.967682"
                              z3="0.059166"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59774"
                              y3="-2.004584"
                              z3="0.026287"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011737"
                              y3="-1.582152"
                              z3="-0.313263"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861052"
                              y3="-0.873567"
                              z3="0.291662"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881559"
                              y3="-1.68789"
                              z3="-0.436682"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890531"
                              y3="-1.355191"
                              z3="1.274854"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071485"
                              y3="0.036323"
                              z3="0.115904"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983808"
                              y3="-0.55815"
                              z3="0.157119"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134302"
                              y3="0.785433"
                              z3="0.906736"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050422"
                              y3="0.549275"
                              z3="-0.847389"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.733544"
                              y3="-3.645889"
                              z3="-0.009468"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081304"
                              y3="-4.140691"
                              z3="0.750164"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.808169"
                              y3="-4.209972"
                              z3="-0.796374"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.87043"
                              y3="-5.165182"
                              z3="-2.354666"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.142838"
                              y3="-5.70103"
                              z3="-2.678233"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.652398"
                              y3="-5.482141"
                              z3="-2.811842"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.662191"
                              y3="-4.842646"
                              z3="2.343584"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.032181"
                              y3="-5.178784"
                              z3="2.985465"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.457638"
                              y3="-5.366803"
                              z3="2.462239"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174029"
                              y3="-0.900957"
                              z3="-0.228394"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903741"
                              y3="-1.403705"
                              z3="-0.142342"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82801"
                              y3="-0.501902"
                              z3="-0.027337"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045972"
                              y3="0.887729"
                              z3="0.000167"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374588"
                              y3="1.371336"
                              z3="-0.092382"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414567"
                              y3="0.493096"
                              z3="-0.204394"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707128"
                              y3="-2.46862"
                              z3="-0.156053"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084202"
                              y3="1.72759"
                              z3="0.117795"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546757"
                              y3="2.440931"
                              z3="-0.07222"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431114"
                              y3="0.858865"
                              z3="-0.2749"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347014"
                              y3="1.203475"
                              z3="0.205415"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526126"
                              y3="-0.189062"
                              z3="0.177291"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060418"
                              y3="2.802282"
                              z3="0.138231"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210212"
                              y3="1.845783"
                              z3="0.293758"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458481"
                              y3="-0.968202"
                              z3="0.059467"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596479"
                              y3="-2.00515"
                              z3="0.026283"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012653"
                              y3="-1.5810"
                              z3="-0.315752"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860009"
                              y3="-0.874962"
                              z3="0.293681"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880007"
                              y3="-1.690422"
                              z3="-0.433394"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889478"
                              y3="-1.355036"
                              z3="1.277642"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070809"
                              y3="0.034145"
                              z3="0.116278"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982866"
                              y3="-0.560723"
                              z3="0.157678"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13443"
                              y3="0.784095"
                              z3="0.906242"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.049461"
                              y3="0.546051"
                              z3="-0.847566"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.731371"
                              y3="-3.646564"
                              z3="-0.009396"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082102"
                              y3="-4.140246"
                              z3="0.749595"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.806671"
                              y3="-4.210305"
                              z3="-0.796488"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869497"
                              y3="-5.164921"
                              z3="-2.355133"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.141729"
                              y3="-5.700457"
                              z3="-2.67883"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.651385"
                              y3="-5.482135"
                              z3="-2.812269"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.668464"
                              y3="-4.838813"
                              z3="2.342722"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.03993"
                              y3="-5.173664"
                              z3="2.986731"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.463554"
                              y3="-5.36396"
                              z3="2.459402"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174303"
                              y3="-0.900666"
                              z3="-0.228994"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.9041"
                              y3="-1.403584"
                              z3="-0.142682"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828276"
                              y3="-0.501925"
                              z3="-0.027404"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046061"
                              y3="0.887733"
                              z3="0.000116"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374592"
                              y3="1.371518"
                              z3="-0.092713"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414662"
                              y3="0.493417"
                              z3="-0.204995"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707628"
                              y3="-2.468525"
                              z3="-0.156372"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084196"
                              y3="1.727443"
                              z3="0.118042"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546625"
                              y3="2.441134"
                              z3="-0.072543"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431146"
                              y3="0.859322"
                              z3="-0.275714"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346917"
                              y3="1.203158"
                              z3="0.205931"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525853"
                              y3="-0.189402"
                              z3="0.177777"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060289"
                              y3="2.802152"
                              z3="0.138491"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21018"
                              y3="1.84535"
                              z3="0.294497"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458137"
                              y3="-0.968396"
                              z3="0.059657"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596011"
                              y3="-2.005365"
                              z3="0.026417"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012999"
                              y3="-1.580597"
                              z3="-0.316557"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859618"
                              y3="-0.875469"
                              z3="0.294495"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.879429"
                              y3="-1.691385"
                              z3="-0.43207"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889072"
                              y3="-1.354922"
                              z3="1.278762"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070561"
                              y3="0.033331"
                              z3="0.116446"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982516"
                              y3="-0.561686"
                              z3="0.157952"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134479"
                              y3="0.783634"
                              z3="0.90605"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.049119"
                              y3="0.544797"
                              z3="-0.84763"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.730546"
                              y3="-3.646821"
                              z3="-0.009277"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082396"
                              y3="-4.140138"
                              z3="0.749437"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.806098"
                              y3="-4.210377"
                              z3="-0.796478"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869121"
                              y3="-5.164634"
                              z3="-2.355348"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.141297"
                              y3="-5.70007"
                              z3="-2.679085"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.650969"
                              y3="-5.481896"
                              z3="-2.812518"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.670823"
                              y3="-4.837536"
                              z3="2.342387"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.042852"
                              y3="-5.171979"
                              z3="2.98716"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.465789"
                              y3="-5.363043"
                              z3="2.458289"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17282"
                              y3="-0.902265"
                              z3="-0.225758"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902167"
                              y3="-1.40426"
                              z3="-0.140789"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.826829"
                              y3="-0.501817"
                              z3="-0.027062"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045562"
                              y3="0.887699"
                              z3="0.000233"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374551"
                              y3="1.370522"
                              z3="-0.091145"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414137"
                              y3="0.491661"
                              z3="-0.201893"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.704938"
                              y3="-2.469059"
                              z3="-0.15448"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084242"
                              y3="1.728233"
                              z3="0.116474"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547309"
                              y3="2.440023"
                              z3="-0.071121"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430961"
                              y3="0.856828"
                              z3="-0.271516"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347453"
                              y3="1.204862"
                              z3="0.202964"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.527334"
                              y3="-0.187568"
                              z3="0.175098"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060967"
                              y3="2.802848"
                              z3="0.136742"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210365"
                              y3="1.847693"
                              z3="0.290266"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459995"
                              y3="-0.967358"
                              z3="0.058653"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598549"
                              y3="-2.004222"
                              z3="0.025769"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011138"
                              y3="-1.582808"
                              z3="-0.312158"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861722"
                              y3="-0.87275"
                              z3="0.290046"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88271"
                              y3="-1.68586"
                              z3="-0.439648"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.891043"
                              y3="-1.35602"
                              z3="1.272426"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071927"
                              y3="0.037786"
                              z3="0.116158"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984432"
                              y3="-0.556424"
                              z3="0.157132"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.1340"
                              y3="0.785902"
                              z3="0.907991"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051268"
                              y3="0.551963"
                              z3="-0.846489"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735022"
                              y3="-3.645448"
                              z3="-0.009862"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081023"
                              y3="-4.14074"
                              z3="0.75025"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.809059"
                              y3="-4.209989"
                              z3="-0.796493"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.870476"
                              y3="-5.166278"
                              z3="-2.354128"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.142934"
                              y3="-5.702473"
                              z3="-2.677231"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.652357"
                              y3="-5.482979"
                              z3="-2.811633"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.658644"
                              y3="-4.844308"
                              z3="2.344006"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.02776"
                              y3="-5.181096"
                              z3="2.98468"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.454367"
                              y3="-5.367728"
                              z3="2.464048"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.172952"
                              y3="-0.902159"
                              z3="-0.226104"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902343"
                              y3="-1.404234"
                              z3="-0.140927"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.826964"
                              y3="-0.501854"
                              z3="-0.027088"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04561"
                              y3="0.887678"
                              z3="0.000115"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374553"
                              y3="1.370581"
                              z3="-0.09148"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41418"
                              y3="0.491782"
                              z3="-0.202341"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705185"
                              y3="-2.469047"
                              z3="-0.154532"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084234"
                              y3="1.728144"
                              z3="0.116492"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547245"
                              y3="2.440095"
                              z3="-0.071529"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43097"
                              y3="0.857012"
                              z3="-0.27213"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347395"
                              y3="1.204696"
                              z3="0.20319"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52719"
                              y3="-0.187749"
                              z3="0.175401"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060908"
                              y3="2.80277"
                              z3="0.136699"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210337"
                              y3="1.847475"
                              z3="0.290594"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459821"
                              y3="-0.967475"
                              z3="0.058827"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598313"
                              y3="-2.004351"
                              z3="0.025989"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011303"
                              y3="-1.582653"
                              z3="-0.312592"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861513"
                              y3="-0.873009"
                              z3="0.290612"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882406"
                              y3="-1.686447"
                              z3="-0.438719"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890813"
                              y3="-1.355843"
                              z3="1.27321"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071798"
                              y3="0.037338"
                              z3="0.116297"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984244"
                              y3="-0.556954"
                              z3="0.157387"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134035"
                              y3="0.785716"
                              z3="0.90787"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051092"
                              y3="0.551192"
                              z3="-0.846524"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73464"
                              y3="-3.645591"
                              z3="-0.009652"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081289"
                              y3="-4.140736"
                              z3="0.750259"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.808687"
                              y3="-4.209988"
                              z3="-0.796382"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.870026"
                              y3="-5.165807"
                              z3="-2.354322"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.142371"
                              y3="-5.701801"
                              z3="-2.6775"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.651823"
                              y3="-5.48264"
                              z3="-2.811876"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.660152"
                              y3="-4.843763"
                              z3="2.343891"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.02961"
                              y3="-5.180266"
                              z3="2.985058"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.455725"
                              y3="-5.367544"
                              z3="2.463335"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173514"
                              y3="-0.901584"
                              z3="-0.227232"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903074"
                              y3="-1.403994"
                              z3="-0.141515"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827508"
                              y3="-0.501897"
                              z3="-0.027207"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045796"
                              y3="0.887692"
                              z3="-0.000086"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37457"
                              y3="1.370948"
                              z3="-0.092266"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414382"
                              y3="0.492422"
                              z3="-0.203576"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706202"
                              y3="-2.468863"
                              z3="-0.154994"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084217"
                              y3="1.727859"
                              z3="0.116805"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546989"
                              y3="2.440506"
                              z3="-0.072379"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431046"
                              y3="0.857921"
                              z3="-0.27379"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347197"
                              y3="1.204075"
                              z3="0.204098"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526632"
                              y3="-0.188418"
                              z3="0.176394"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060652"
                              y3="2.802521"
                              z3="0.136934"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210271"
                              y3="1.846622"
                              z3="0.291889"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459116"
                              y3="-0.967857"
                              z3="0.059278"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597367"
                              y3="-2.004774"
                              z3="0.026387"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01201"
                              y3="-1.581856"
                              z3="-0.314052"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860716"
                              y3="-0.874008"
                              z3="0.292366"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881254"
                              y3="-1.688441"
                              z3="-0.435855"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889953"
                              y3="-1.355495"
                              z3="1.275636"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071294"
                              y3="0.03571"
                              z3="0.1167"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983533"
                              y3="-0.558877"
                              z3="0.158099"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134095"
                              y3="0.784879"
                              z3="0.907477"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050435"
                              y3="0.548586"
                              z3="-0.846639"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73315"
                              y3="-3.646073"
                              z3="-0.009349"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082016"
                              y3="-4.140577"
                              z3="0.749972"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807572"
                              y3="-4.210078"
                              z3="-0.796325"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.86917"
                              y3="-5.165072"
                              z3="-2.354804"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.141322"
                              y3="-5.700662"
                              z3="-2.678233"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.650883"
                              y3="-5.48213"
                              z3="-2.812348"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.66497"
                              y3="-4.841441"
                              z3="2.343196"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.035582"
                              y3="-5.177102"
                              z3="2.985939"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.460296"
                              y3="-5.365973"
                              z3="2.46101"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173037"
                              y3="-0.902082"
                              z3="-0.226329"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902455"
                              y3="-1.404206"
                              z3="-0.141029"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827049"
                              y3="-0.501867"
                              z3="-0.027127"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04564"
                              y3="0.887675"
                              z3="0.000016"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374556"
                              y3="1.37063"
                              z3="-0.09171"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41421"
                              y3="0.49187"
                              z3="-0.202633"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705343"
                              y3="-2.469028"
                              z3="-0.154575"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084227"
                              y3="1.728098"
                              z3="0.11647"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547207"
                              y3="2.440151"
                              z3="-0.071806"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430979"
                              y3="0.857139"
                              z3="-0.272517"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347359"
                              y3="1.2046"
                              z3="0.203303"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.527099"
                              y3="-0.187852"
                              z3="0.175572"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060873"
                              y3="2.80273"
                              z3="0.136631"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21032"
                              y3="1.847346"
                              z3="0.290766"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459708"
                              y3="-0.967537"
                              z3="0.058916"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598169"
                              y3="-2.004419"
                              z3="0.026097"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011409"
                              y3="-1.582545"
                              z3="-0.312861"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861382"
                              y3="-0.873163"
                              z3="0.290942"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882262"
                              y3="-1.686718"
                              z3="-0.438257"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890619"
                              y3="-1.355841"
                              z3="1.27362"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071718"
                              y3="0.037099"
                              z3="0.11653"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984132"
                              y3="-0.557236"
                              z3="0.157702"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133988"
                              y3="0.785569"
                              z3="0.908013"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051049"
                              y3="0.550839"
                              z3="-0.846352"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.734502"
                              y3="-3.645657"
                              z3="-0.009561"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081557"
                              y3="-4.140724"
                              z3="0.750216"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.80844"
                              y3="-4.210005"
                              z3="-0.796337"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869578"
                              y3="-5.165616"
                              z3="-2.354422"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.141839"
                              y3="-5.701514"
                              z3="-2.677577"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.65132"
                              y3="-5.482595"
                              z3="-2.81197"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.661199"
                              y3="-4.84343"
                              z3="2.343737"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.030895"
                              y3="-5.179727"
                              z3="2.985245"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.456696"
                              y3="-5.367412"
                              z3="2.462814"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17284"
                              y3="-0.902295"
                              z3="-0.226025"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902205"
                              y3="-1.404304"
                              z3="-0.140854"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.826864"
                              y3="-0.501869"
                              z3="-0.027096"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045575"
                              y3="0.887654"
                              z3="0.000041"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374544"
                              y3="1.37049"
                              z3="-0.091544"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414133"
                              y3="0.491636"
                              z3="-0.202332"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.704997"
                              y3="-2.469109"
                              z3="-0.154409"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084232"
                              y3="1.728179"
                              z3="0.116346"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547286"
                              y3="2.439996"
                              z3="-0.071647"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430942"
                              y3="0.856814"
                              z3="-0.272118"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347422"
                              y3="1.204795"
                              z3="0.203032"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.527283"
                              y3="-0.187642"
                              z3="0.175298"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060961"
                              y3="2.802798"
                              z3="0.136509"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210334"
                              y3="1.847618"
                              z3="0.290386"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459944"
                              y3="-0.967424"
                              z3="0.058801"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598488"
                              y3="-2.004292"
                              z3="0.026009"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011161"
                              y3="-1.582833"
                              z3="-0.312456"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861641"
                              y3="-0.872842"
                              z3="0.290456"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882654"
                              y3="-1.686077"
                              z3="-0.439099"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890876"
                              y3="-1.355953"
                              z3="1.272919"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071886"
                              y3="0.037627"
                              z3="0.11651"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.984366"
                              y3="-0.556612"
                              z3="0.157579"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133964"
                              y3="0.785825"
                              z3="0.908267"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051276"
                              y3="0.551702"
                              z3="-0.846194"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735003"
                              y3="-3.645513"
                              z3="-0.00964"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081427"
                              y3="-4.14079"
                              z3="0.750287"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.808721"
                              y3="-4.209986"
                              z3="-0.796346"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869582"
                              y3="-5.165819"
                              z3="-2.354299"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.141826"
                              y3="-5.701752"
                              z3="-2.677354"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.651296"
                              y3="-5.482816"
                              z3="-2.811883"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.65988"
                              y3="-4.844106"
                              z3="2.343932"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.029224"
                              y3="-5.180721"
                              z3="2.984927"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.455483"
                              y3="-5.367808"
                              z3="2.463524"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.172316"
                              y3="-0.902878"
                              z3="-0.224869"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.901526"
                              y3="-1.404556"
                              z3="-0.140113"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.826357"
                              y3="-0.501835"
                              z3="-0.026969"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.0454"
                              y3="0.887643"
                              z3="-0.000048"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374528"
                              y3="1.370133"
                              z3="-0.091181"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413944"
                              y3="0.491002"
                              z3="-0.201353"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.704052"
                              y3="-2.469313"
                              z3="-0.153565"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084245"
                              y3="1.728466"
                              z3="0.115596"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547525"
                              y3="2.439601"
                              z3="-0.071435"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43087"
                              y3="0.855915"
                              z3="-0.270788"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347605"
                              y3="1.205409"
                              z3="0.201861"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.527797"
                              y3="-0.186983"
                              z3="0.174377"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061201"
                              y3="2.803054"
                              z3="0.135587"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210393"
                              y3="1.848465"
                              z3="0.288719"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.460591"
                              y3="-0.967055"
                              z3="0.058526"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59938"
                              y3="-2.003891"
                              z3="0.025951"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.010504"
                              y3="-1.583639"
                              z3="-0.310831"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.862369"
                              y3="-0.871866"
                              z3="0.289022"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.883836"
                              y3="-1.684156"
                              z3="-0.441581"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.891506"
                              y3="-1.356264"
                              z3="1.270848"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.072361"
                              y3="0.039195"
                              z3="0.116551"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.985028"
                              y3="-0.554765"
                              z3="0.157517"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13375"
                              y3="0.78667"
                              z3="0.909048"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.052079"
                              y3="0.554169"
                              z3="-0.845683"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736675"
                              y3="-3.645012"
                              z3="-0.009683"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081089"
                              y3="-4.141052"
                              z3="0.750661"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.809711"
                              y3="-4.209782"
                              z3="-0.796235"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869765"
                              y3="-5.166128"
                              z3="-2.353893"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.142104"
                              y3="-5.702392"
                              z3="-2.676614"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.651441"
                              y3="-5.482867"
                              z3="-2.811721"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.65584"
                              y3="-4.846722"
                              z3="2.344465"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.024216"
                              y3="-5.184334"
                              z3="2.983976"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.451741"
                              y3="-5.369662"
                              z3="2.465385"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173249"
                              y3="-0.901813"
                              z3="-0.227045"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902736"
                              y3="-1.404086"
                              z3="-0.141599"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82726"
                              y3="-0.501881"
                              z3="-0.027312"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045712"
                              y3="0.887677"
                              z3="0.000085"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374558"
                              y3="1.37079"
                              z3="-0.091805"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41428"
                              y3="0.492159"
                              z3="-0.203118"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705735"
                              y3="-2.468928"
                              z3="-0.155295"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084219"
                              y3="1.72796"
                              z3="0.116951"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547103"
                              y3="2.440325"
                              z3="-0.071715"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430997"
                              y3="0.857548"
                              z3="-0.273133"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347279"
                              y3="1.204313"
                              z3="0.203926"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526882"
                              y3="-0.188153"
                              z3="0.175912"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060775"
                              y3="2.802602"
                              z3="0.137319"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210289"
                              y3="1.846949"
                              z3="0.291708"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459436"
                              y3="-0.967701"
                              z3="0.058864"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597799"
                              y3="-2.004592"
                              z3="0.025856"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011674"
                              y3="-1.582171"
                              z3="-0.31387"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.861075"
                              y3="-0.873615"
                              z3="0.291409"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88187"
                              y3="-1.687294"
                              z3="-0.43765"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.890245"
                              y3="-1.356119"
                              z3="1.274178"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071518"
                              y3="0.036485"
                              z3="0.116856"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98386"
                              y3="-0.557965"
                              z3="0.157971"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133957"
                              y3="0.784977"
                              z3="0.908303"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050826"
                              y3="0.550192"
                              z3="-0.846043"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.733889"
                              y3="-3.645863"
                              z3="-0.009695"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.081908"
                              y3="-4.140487"
                              z3="0.749929"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807961"
                              y3="-4.210219"
                              z3="-0.796455"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.869013"
                              y3="-5.165941"
                              z3="-2.354474"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.141105"
                              y3="-5.701632"
                              z3="-2.677591"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.650658"
                              y3="-5.483188"
                              z3="-2.812003"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.6633"
                              y3="-4.841903"
                              z3="2.343439"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.033473"
                              y3="-5.177897"
                              z3="2.985575"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.45882"
                              y3="-5.365959"
                              z3="2.462051"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174217"
                              y3="-0.900752"
                              z3="-0.229041"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90399"
                              y3="-1.403624"
                              z3="-0.142849"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82819"
                              y3="-0.50193"
                              z3="-0.027601"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04603"
                              y3="0.887718"
                              z3="0.000021"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374588"
                              y3="1.371457"
                              z3="-0.092686"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41463"
                              y3="0.493322"
                              z3="-0.204948"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707479"
                              y3="-2.468557"
                              z3="-0.156604"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084198"
                              y3="1.727462"
                              z3="0.117936"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546663"
                              y3="2.441064"
                              z3="-0.072441"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431133"
                              y3="0.859191"
                              z3="-0.275576"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34695"
                              y3="1.203221"
                              z3="0.205709"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525941"
                              y3="-0.189325"
                              z3="0.177431"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060327"
                              y3="2.802164"
                              z3="0.138477"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.21019"
                              y3="1.845442"
                              z3="0.294283"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458242"
                              y3="-0.968354"
                              z3="0.059336"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596171"
                              y3="-2.005311"
                              z3="0.02605"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012893"
                              y3="-1.58071"
                              z3="-0.31658"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859739"
                              y3="-0.875378"
                              z3="0.293912"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.879911"
                              y3="-1.690461"
                              z3="-0.433583"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88885"
                              y3="-1.355975"
                              z3="1.277629"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070662"
                              y3="0.033726"
                              z3="0.117364"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982663"
                              y3="-0.561226"
                              z3="0.158789"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134059"
                              y3="0.783292"
                              z3="0.907712"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.049688"
                              y3="0.546095"
                              z3="-0.846242"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.731091"
                              y3="-3.646714"
                              z3="-0.009478"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082786"
                              y3="-4.140028"
                              z3="0.749304"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.806093"
                              y3="-4.210543"
                              z3="-0.796535"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.868145"
                              y3="-5.165281"
                              z3="-2.355135"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.140095"
                              y3="-5.700609"
                              z3="-2.67854"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.649782"
                              y3="-5.482842"
                              z3="-2.81246"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.671042"
                              y3="-4.837393"
                              z3="2.342344"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.043097"
                              y3="-5.17175"
                              z3="2.987185"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.466045"
                              y3="-5.362823"
                              z3="2.458346"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173515"
                              y3="-0.901519"
                              z3="-0.227703"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903083"
                              y3="-1.40396"
                              z3="-0.14203"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827518"
                              y3="-0.5019"
                              z3="-0.02744"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045799"
                              y3="0.887682"
                              z3="0.000043"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374564"
                              y3="1.370971"
                              z3="-0.092095"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414373"
                              y3="0.492482"
                              z3="-0.203712"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706221"
                              y3="-2.468828"
                              z3="-0.155753"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084212"
                              y3="1.727812"
                              z3="0.117245"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546977"
                              y3="2.440526"
                              z3="-0.071945"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431029"
                              y3="0.858006"
                              z3="-0.273915"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347184"
                              y3="1.203998"
                              z3="0.204456"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526617"
                              y3="-0.18849"
                              z3="0.176337"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060652"
                              y3="2.80247"
                              z3="0.137683"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210257"
                              y3="1.846516"
                              z3="0.292494"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459102"
                              y3="-0.967891"
                              z3="0.058962"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597347"
                              y3="-2.0048"
                              z3="0.025862"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012009"
                              y3="-1.581763"
                              z3="-0.314756"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860697"
                              y3="-0.874122"
                              z3="0.292107"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881364"
                              y3="-1.688104"
                              z3="-0.436616"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889792"
                              y3="-1.356218"
                              z3="1.275081"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071282"
                              y3="0.035725"
                              z3="0.117181"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983529"
                              y3="-0.558866"
                              z3="0.158372"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133932"
                              y3="0.784426"
                              z3="0.908413"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050573"
                              y3="0.549169"
                              z3="-0.845858"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.733126"
                              y3="-3.646105"
                              z3="-0.009644"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082267"
                              y3="-4.140321"
                              z3="0.749731"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807375"
                              y3="-4.210349"
                              z3="-0.79647"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.868478"
                              y3="-5.165873"
                              z3="-2.354615"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.140443"
                              y3="-5.701378"
                              z3="-2.677756"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.650038"
                              y3="-5.483251"
                              z3="-2.812198"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.665745"
                              y3="-4.840508"
                              z3="2.343098"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.0365"
                              y3="-5.176104"
                              z3="2.986017"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.461179"
                              y3="-5.364866"
                              z3="2.460954"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173582"
                              y3="-0.901446"
                              z3="-0.227891"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903171"
                              y3="-1.403932"
                              z3="-0.142152"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827584"
                              y3="-0.50191"
                              z3="-0.027465"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045822"
                              y3="0.887678"
                              z3="0.000053"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374564"
                              y3="1.371013"
                              z3="-0.092155"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414396"
                              y3="0.492561"
                              z3="-0.203871"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706344"
                              y3="-2.468805"
                              z3="-0.155892"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.08421"
                              y3="1.727767"
                              z3="0.117361"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546944"
                              y3="2.440573"
                              z3="-0.071981"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431035"
                              y3="0.858121"
                              z3="-0.274132"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347158"
                              y3="1.203909"
                              z3="0.204635"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526547"
                              y3="-0.188584"
                              z3="0.176468"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060621"
                              y3="2.80243"
                              z3="0.137832"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210246"
                              y3="1.846396"
                              z3="0.292752"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459017"
                              y3="-0.967945"
                              z3="0.058995"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597229"
                              y3="-2.00486"
                              z3="0.025861"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012093"
                              y3="-1.581661"
                              z3="-0.315021"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860598"
                              y3="-0.874262"
                              z3="0.292303"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881213"
                              y3="-1.688346"
                              z3="-0.436306"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889693"
                              y3="-1.356218"
                              z3="1.275346"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071219"
                              y3="0.03551"
                              z3="0.117224"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983439"
                              y3="-0.559121"
                              z3="0.158415"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133956"
                              y3="0.784278"
                              z3="0.908385"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050476"
                              y3="0.548869"
                              z3="-0.845859"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.732907"
                              y3="-3.646175"
                              z3="-0.009653"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082352"
                              y3="-4.140281"
                              z3="0.749654"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807209"
                              y3="-4.210385"
                              z3="-0.796498"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.868362"
                              y3="-5.165842"
                              z3="-2.354682"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.140298"
                              y3="-5.701306"
                              z3="-2.677826"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.649909"
                              y3="-5.483298"
                              z3="-2.812232"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.666384"
                              y3="-4.840075"
                              z3="2.343022"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.037274"
                              y3="-5.175517"
                              z3="2.986155"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.46176"
                              y3="-5.364564"
                              z3="2.460683"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174438"
                              y3="-0.900528"
                              z3="-0.229735"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904289"
                              y3="-1.403546"
                              z3="-0.143267"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828416"
                              y3="-0.501973"
                              z3="-0.027739"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046107"
                              y3="0.887699"
                              z3="-0.000113"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374587"
                              y3="1.37159"
                              z3="-0.09312"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414699"
                              y3="0.493574"
                              z3="-0.205654"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.7079"
                              y3="-2.468502"
                              z3="-0.156985"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084187"
                              y3="1.727312"
                              z3="0.118117"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546547"
                              y3="2.441217"
                              z3="-0.072874"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431143"
                              y3="0.85956"
                              z3="-0.276505"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346855"
                              y3="1.202926"
                              z3="0.206191"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525698"
                              y3="-0.189641"
                              z3="0.177893"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060225"
                              y3="2.802029"
                              z3="0.138665"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210146"
                              y3="1.845044"
                              z3="0.295011"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457943"
                              y3="-0.968544"
                              z3="0.059482"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595769"
                              y3="-2.00552"
                              z3="0.026156"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.013169"
                              y3="-1.580391"
                              z3="-0.317478"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859391"
                              y3="-0.875837"
                              z3="0.294734"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.879482"
                              y3="-1.691265"
                              z3="-0.432375"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.888401"
                              y3="-1.355969"
                              z3="1.278686"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070442"
                              y3="0.033027"
                              z3="0.117812"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982355"
                              y3="-0.562054"
                              z3="0.15934"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.134025"
                              y3="0.782815"
                              z3="0.907933"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.04946"
                              y3="0.54512"
                              z3="-0.84594"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.730493"
                              y3="-3.646939"
                              z3="-0.00935"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.083318"
                              y3="-4.13992"
                              z3="0.749124"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.805435"
                              y3="-4.210642"
                              z3="-0.796503"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.867195"
                              y3="-5.164995"
                              z3="-2.355369"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.138953"
                              y3="-5.700127"
                              z3="-2.678674"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.648691"
                              y3="-5.482842"
                              z3="-2.812736"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.6737"
                              y3="-4.836109"
                              z3="2.342004"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.046326"
                              y3="-5.170048"
                              z3="2.987623"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.468553"
                              y3="-5.361953"
                              z3="2.457173"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173894"
                              y3="-0.901092"
                              z3="-0.228768"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903584"
                              y3="-1.403782"
                              z3="-0.142744"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827894"
                              y3="-0.501939"
                              z3="-0.027629"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04593"
                              y3="0.887678"
                              z3="0.000045"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374571"
                              y3="1.371227"
                              z3="-0.092474"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414503"
                              y3="0.492948"
                              z3="-0.20462"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.70692"
                              y3="-2.468686"
                              z3="-0.156554"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084196"
                              y3="1.727579"
                              z3="0.117817"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546796"
                              y3="2.44081"
                              z3="-0.072188"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431068"
                              y3="0.858672"
                              z3="-0.275119"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347038"
                              y3="1.203517"
                              z3="0.20538"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526226"
                              y3="-0.189001"
                              z3="0.17703"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.06048"
                              y3="2.80226"
                              z3="0.138418"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210199"
                              y3="1.845858"
                              z3="0.293852"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458615"
                              y3="-0.968181"
                              z3="0.059108"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596688"
                              y3="-2.005114"
                              z3="0.025824"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012485"
                              y3="-1.581167"
                              z3="-0.316222"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860142"
                              y3="-0.874881"
                              z3="0.293185"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880585"
                              y3="-1.689359"
                              z3="-0.434984"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889176"
                              y3="-1.356301"
                              z3="1.276496"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070926"
                              y3="0.034584"
                              z3="0.117584"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983032"
                              y3="-0.560218"
                              z3="0.158818"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133964"
                              y3="0.783607"
                              z3="0.908479"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050108"
                              y3="0.547624"
                              z3="-0.845668"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.732058"
                              y3="-3.646466"
                              z3="-0.009669"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082862"
                              y3="-4.140073"
                              z3="0.749335"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.806499"
                              y3="-4.210564"
                              z3="-0.796584"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.867623"
                              y3="-5.165789"
                              z3="-2.354913"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.139397"
                              y3="-5.701065"
                              z3="-2.678006"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.649086"
                              y3="-5.483596"
                              z3="-2.812363"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.669405"
                              y3="-4.838243"
                              z3="2.342598"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.040975"
                              y3="-5.173101"
                              z3="2.986703"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.464624"
                              y3="-5.363175"
                              z3="2.459359"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173522"
                              y3="-0.901491"
                              z3="-0.228125"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903106"
                              y3="-1.40396"
                              z3="-0.142372"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827542"
                              y3="-0.501929"
                              z3="-0.02756"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045808"
                              y3="0.887653"
                              z3="0.000087"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374554"
                              y3="1.370971"
                              z3="-0.092135"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414363"
                              y3="0.492509"
                              z3="-0.203989"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706259"
                              y3="-2.468829"
                              z3="-0.156196"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084203"
                              y3="1.727752"
                              z3="0.117536"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546956"
                              y3="2.440525"
                              z3="-0.071868"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431005"
                              y3="0.858056"
                              z3="-0.274273"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347158"
                              y3="1.203909"
                              z3="0.204804"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526578"
                              y3="-0.188578"
                              z3="0.176478"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.06065"
                              y3="2.802408"
                              z3="0.138124"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210228"
                              y3="1.846403"
                              z3="0.293037"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459066"
                              y3="-0.967947"
                              z3="0.05889"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597299"
                              y3="-2.004855"
                              z3="0.025673"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012015"
                              y3="-1.581714"
                              z3="-0.315361"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860641"
                              y3="-0.874244"
                              z3="0.292246"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881339"
                              y3="-1.688138"
                              z3="-0.436575"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889673"
                              y3="-1.356458"
                              z3="1.275165"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071246"
                              y3="0.035611"
                              z3="0.117499"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983481"
                              y3="-0.559005"
                              z3="0.158574"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133909"
                              y3="0.784154"
                              z3="0.908879"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050549"
                              y3="0.549245"
                              z3="-0.845438"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73306"
                              y3="-3.646164"
                              z3="-0.009822"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082593"
                              y3="-4.140206"
                              z3="0.749484"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807114"
                              y3="-4.210489"
                              z3="-0.796607"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.867758"
                              y3="-5.166173"
                              z3="-2.354661"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.139516"
                              y3="-5.701534"
                              z3="-2.677573"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.649174"
                              y3="-5.48399"
                              z3="-2.812185"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.666739"
                              y3="-4.839675"
                              z3="2.342985"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.037614"
                              y3="-5.175141"
                              z3="2.986093"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.462143"
                              y3="-5.364108"
                              z3="2.460714"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173554"
                              y3="-0.90146"
                              z3="-0.22815"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903146"
                              y3="-1.403946"
                              z3="-0.142379"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82757"
                              y3="-0.501928"
                              z3="-0.027558"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045818"
                              y3="0.887656"
                              z3="0.000079"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374558"
                              y3="1.370992"
                              z3="-0.092162"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414377"
                              y3="0.492543"
                              z3="-0.204024"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706313"
                              y3="-2.468817"
                              z3="-0.156195"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084202"
                              y3="1.727741"
                              z3="0.117535"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546946"
                              y3="2.440548"
                              z3="-0.071901"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431014"
                              y3="0.858104"
                              z3="-0.27432"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347149"
                              y3="1.203882"
                              z3="0.204822"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52655"
                              y3="-0.188607"
                              z3="0.176509"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060637"
                              y3="2.8024"
                              z3="0.138115"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210228"
                              y3="1.846365"
                              z3="0.293058"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459029"
                              y3="-0.967963"
                              z3="0.058912"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597252"
                              y3="-2.004873"
                              z3="0.0257"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012056"
                              y3="-1.581672"
                              z3="-0.315391"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860602"
                              y3="-0.87429"
                              z3="0.292304"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88128"
                              y3="-1.688223"
                              z3="-0.436472"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889632"
                              y3="-1.356451"
                              z3="1.275248"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071223"
                              y3="0.035534"
                              z3="0.117497"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983446"
                              y3="-0.559099"
                              z3="0.15859"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133912"
                              y3="0.784117"
                              z3="0.908838"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050524"
                              y3="0.54912"
                              z3="-0.845468"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.733006"
                              y3="-3.64618"
                              z3="-0.009793"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.08261"
                              y3="-4.140202"
                              z3="0.749493"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807096"
                              y3="-4.210483"
                              z3="-0.796591"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.867787"
                              y3="-5.166117"
                              z3="-2.354673"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.139557"
                              y3="-5.701483"
                              z3="-2.677604"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.649209"
                              y3="-5.483898"
                              z3="-2.812212"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.666895"
                              y3="-4.839614"
                              z3="2.342964"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.037818"
                              y3="-5.175035"
                              z3="2.986142"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.462281"
                              y3="-5.364091"
                              z3="2.460617"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173579"
                              y3="-0.901458"
                              z3="-0.227699"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90316"
                              y3="-1.40394"
                              z3="-0.142049"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827567"
                              y3="-0.501917"
                              z3="-0.027433"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045809"
                              y3="0.887671"
                              z3="0.000119"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37456"
                              y3="1.371002"
                              z3="-0.091987"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414397"
                              y3="0.492547"
                              z3="-0.203648"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706329"
                              y3="-2.468812"
                              z3="-0.15582"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.084229"
                              y3="1.727764"
                              z3="0.117354"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546943"
                              y3="2.440561"
                              z3="-0.071788"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.431042"
                              y3="0.858105"
                              z3="-0.273843"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.347189"
                              y3="1.203911"
                              z3="0.204503"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526582"
                              y3="-0.188579"
                              z3="0.176282"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060607"
                              y3="2.802424"
                              z3="0.137866"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210281"
                              y3="1.8464"
                              z3="0.292563"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.459044"
                              y3="-0.967946"
                              z3="0.058907"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597261"
                              y3="-2.004859"
                              z3="0.025775"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012094"
                              y3="-1.581674"
                              z3="-0.314789"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860646"
                              y3="-0.874266"
                              z3="0.291914"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881295"
                              y3="-1.688069"
                              z3="-0.437008"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.889717"
                              y3="-1.356608"
                              z3="1.274764"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.07126"
                              y3="0.035586"
                              z3="0.117204"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983486"
                              y3="-0.559051"
                              z3="0.15819"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133967"
                              y3="0.784065"
                              z3="0.908646"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.050539"
                              y3="0.5493"
                              z3="-0.845693"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.732939"
                              y3="-3.646165"
                              z3="-0.009727"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.082205"
                              y3="-4.140306"
                              z3="0.749641"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.807158"
                              y3="-4.210451"
                              z3="-0.796524"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.868698"
                              y3="-5.165863"
                              z3="-2.354704"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.140881"
                              y3="-5.701677"
                              z3="-2.677824"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.650418"
                              y3="-5.483096"
                              z3="-2.812115"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.665831"
                              y3="-4.840023"
                              z3="2.343214"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.036537"
                              y3="-5.175573"
                              z3="2.986113"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.461222"
                              y3="-5.364432"
                              z3="2.461124"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174967"
                              y3="-0.899887"
                              z3="-0.236627"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.905115"
                              y3="-1.403273"
                              z3="-0.147403"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.829232"
                              y3="-0.502053"
                              z3="-0.02891"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046615"
                              y3="0.887657"
                              z3="-0.001024"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374802"
                              y3="1.371939"
                              z3="-0.096941"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414919"
                              y3="0.494262"
                              z3="-0.212449"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.709008"
                              y3="-2.46827"
                              z3="-0.160937"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083657"
                              y3="1.726915"
                              z3="0.120184"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546548"
                              y3="2.441586"
                              z3="-0.076466"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43113"
                              y3="0.860554"
                              z3="-0.285471"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346032"
                              y3="1.20214"
                              z3="0.210698"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524497"
                              y3="-0.190455"
                              z3="0.182079"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060532"
                              y3="2.801651"
                              z3="0.140931"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.209366"
                              y3="1.843932"
                              z3="0.301515"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.456783"
                              y3="-0.969016"
                              z3="0.060883"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.594711"
                              y3="-2.006016"
                              z3="0.02701"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01373"
                              y3="-1.579448"
                              z3="-0.326588"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.857656"
                              y3="-0.877089"
                              z3="0.301371"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.877402"
                              y3="-1.694388"
                              z3="-0.423452"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885852"
                              y3="-1.354648"
                              z3="1.286449"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069563"
                              y3="0.030418"
                              z3="0.122197"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98094"
                              y3="-0.565398"
                              z3="0.165235"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13398"
                              y3="0.782414"
                              z3="0.910406"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.048999"
                              y3="0.540033"
                              z3="-0.843036"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.732716"
                              y3="-3.646792"
                              z3="-0.008875"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.090929"
                              y3="-4.138651"
                              z3="0.747915"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.804739"
                              y3="-4.210613"
                              z3="-0.796216"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.854099"
                              y3="-5.166373"
                              z3="-2.354602"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.120583"
                              y3="-5.695788"
                              z3="-2.675374"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.631362"
                              y3="-5.489842"
                              z3="-2.815177"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.691935"
                              y3="-4.830747"
                              z3="2.337807"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.068943"
                              y3="-5.163035"
                              z3="2.9884"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.487154"
                              y3="-5.357149"
                              z3="2.447998"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.172915"
                              y3="-0.89978"
                              z3="-0.244822"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902996"
                              y3="-1.402855"
                              z3="-0.156772"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827867"
                              y3="-0.501569"
                              z3="-0.034117"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046019"
                              y3="0.887873"
                              z3="-0.001014"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374108"
                              y3="1.37189"
                              z3="-0.09602"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413523"
                              y3="0.494144"
                              z3="-0.21543"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.70648"
                              y3="-2.467792"
                              z3="-0.174261"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083621"
                              y3="1.727189"
                              z3="0.125307"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546369"
                              y3="2.441414"
                              z3="-0.071719"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.429721"
                              y3="0.860224"
                              z3="-0.28782"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345805"
                              y3="1.202662"
                              z3="0.216355"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525371"
                              y3="-0.189803"
                              z3="0.18228"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061074"
                              y3="2.801794"
                              z3="0.150259"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208381"
                              y3="1.844665"
                              z3="0.312317"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458363"
                              y3="-0.968261"
                              z3="0.055682"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59647"
                              y3="-2.004842"
                              z3="0.017788"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011058"
                              y3="-1.579536"
                              z3="-0.337912"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859119"
                              y3="-0.875781"
                              z3="0.302453"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.883507"
                              y3="-1.689454"
                              z3="-0.427045"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884545"
                              y3="-1.358401"
                              z3="1.285837"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069365"
                              y3="0.035263"
                              z3="0.134593"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982146"
                              y3="-0.558301"
                              z3="0.177401"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.128023"
                              y3="0.780729"
                              z3="0.928148"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051615"
                              y3="0.551623"
                              z3="-0.826229"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735089"
                              y3="-3.647023"
                              z3="-0.018519"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098312"
                              y3="-4.135063"
                              z3="0.737693"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.799199"
                              y3="-4.2150"
                              z3="-0.803666"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.83082"
                              y3="-5.186572"
                              z3="-2.353365"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.090116"
                              y3="-5.70985"
                              z3="-2.667542"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.60364"
                              y3="-5.525912"
                              z3="-2.810227"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.708687"
                              y3="-4.817981"
                              z3="2.33259"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.087814"
                              y3="-5.152713"
                              z3="2.984299"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.507421"
                              y3="-5.338413"
                              z3="2.445008"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.171971"
                              y3="-0.903058"
                              z3="-0.240353"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.901684"
                              y3="-1.40512"
                              z3="-0.149995"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82689"
                              y3="-0.502848"
                              z3="-0.030127"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.045777"
                              y3="0.886582"
                              z3="-0.001377"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374338"
                              y3="1.369513"
                              z3="-0.098404"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413409"
                              y3="0.490801"
                              z3="-0.21576"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.704419"
                              y3="-2.469888"
                              z3="-0.163794"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083499"
                              y3="1.72693"
                              z3="0.121857"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547226"
                              y3="2.43897"
                              z3="-0.077514"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.429904"
                              y3="0.856082"
                              z3="-0.290012"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34631"
                              y3="1.203418"
                              z3="0.213156"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.526376"
                              y3="-0.188998"
                              z3="0.182792"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061835"
                              y3="2.801498"
                              z3="0.143595"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.20885"
                              y3="1.846053"
                              z3="0.305693"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45959"
                              y3="-0.968537"
                              z3="0.060061"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.598301"
                              y3="-2.005338"
                              z3="0.025662"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.009893"
                              y3="-1.583474"
                              z3="-0.331685"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.860304"
                              y3="-0.874329"
                              z3="0.301314"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881836"
                              y3="-1.689104"
                              z3="-0.426372"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88819"
                              y3="-1.355239"
                              z3="1.284823"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.071156"
                              y3="0.035431"
                              z3="0.126604"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.983302"
                              y3="-0.559276"
                              z3="0.168565"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133565"
                              y3="0.78468"
                              z3="0.917521"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051007"
                              y3="0.548373"
                              z3="-0.836861"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735063"
                              y3="-3.646427"
                              z3="-0.009722"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.093789"
                              y3="-4.138471"
                              z3="0.746688"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.80262"
                              y3="-4.211498"
                              z3="-0.796545"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.839391"
                              y3="-5.16953"
                              z3="-2.35365"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.100271"
                              y3="-5.693509"
                              z3="-2.670464"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.61241"
                              y3="-5.501382"
                              z3="-2.815493"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.69538"
                              y3="-4.829529"
                              z3="2.336871"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.070973"
                              y3="-5.162398"
                              z3="2.985902"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.490464"
                              y3="-5.355808"
                              z3="2.448553"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174184"
                              y3="-0.90059"
                              z3="-0.235582"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904155"
                              y3="-1.403538"
                              z3="-0.147044"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828535"
                              y3="-0.501924"
                              z3="-0.029583"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046351"
                              y3="0.887733"
                              z3="-0.002158"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374692"
                              y3="1.37156"
                              z3="-0.097371"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414547"
                              y3="0.493505"
                              z3="-0.211742"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707735"
                              y3="-2.468505"
                              z3="-0.160364"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.08369"
                              y3="1.727381"
                              z3="0.118188"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546763"
                              y3="2.441174"
                              z3="-0.077239"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430878"
                              y3="0.859448"
                              z3="-0.284178"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346211"
                              y3="1.203034"
                              z3="0.208531"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525172"
                              y3="-0.189515"
                              z3="0.180479"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060811"
                              y3="2.802087"
                              z3="0.138574"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.209308"
                              y3="1.845168"
                              z3="0.298984"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457661"
                              y3="-0.968441"
                              z3="0.059932"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595885"
                              y3="-2.005365"
                              z3="0.026389"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012738"
                              y3="-1.580475"
                              z3="-0.324718"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858655"
                              y3="-0.875716"
                              z3="0.299798"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880301"
                              y3="-1.690852"
                              z3="-0.427584"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.8856"
                              y3="-1.356329"
                              z3="1.283589"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.07002"
                              y3="0.033237"
                              z3="0.125783"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981843"
                              y3="-0.561856"
                              z3="0.169238"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131819"
                              y3="0.782902"
                              z3="0.916183"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051178"
                              y3="0.545533"
                              z3="-0.837928"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735845"
                              y3="-3.646125"
                              z3="-0.009783"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.092737"
                              y3="-4.138774"
                              z3="0.746979"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.804631"
                              y3="-4.210706"
                              z3="-0.796843"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.849672"
                              y3="-5.168411"
                              z3="-2.354342"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.114718"
                              y3="-5.696087"
                              z3="-2.674694"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.626287"
                              y3="-5.495423"
                              z3="-2.813542"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.69104"
                              y3="-4.833371"
                              z3="2.337811"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.067235"
                              y3="-5.168151"
                              z3="2.986442"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.487181"
                              y3="-5.358038"
                              z3="2.449323"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173412"
                              y3="-0.901169"
                              z3="-0.238402"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903322"
                              y3="-1.403878"
                              z3="-0.149277"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827995"
                              y3="-0.502122"
                              z3="-0.030338"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046162"
                              y3="0.887443"
                              z3="-0.001803"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37454"
                              y3="1.371037"
                              z3="-0.097665"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414118"
                              y3="0.492836"
                              z3="-0.213666"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706648"
                              y3="-2.46878"
                              z3="-0.16324"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083601"
                              y3="1.727252"
                              z3="0.120271"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546869"
                              y3="2.440592"
                              z3="-0.076791"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430482"
                              y3="0.858605"
                              z3="-0.286729"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346163"
                              y3="1.203119"
                              z3="0.21108"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525506"
                              y3="-0.189379"
                              z3="0.181552"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061167"
                              y3="2.801904"
                              z3="0.141635"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.209037"
                              y3="1.845373"
                              z3="0.302919"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458274"
                              y3="-0.968426"
                              z3="0.059491"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596669"
                              y3="-2.005269"
                              z3="0.02505"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011737"
                              y3="-1.581187"
                              z3="-0.328748"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859123"
                              y3="-0.875311"
                              z3="0.300758"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881056"
                              y3="-1.690095"
                              z3="-0.427022"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.886081"
                              y3="-1.356329"
                              z3="1.284351"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070272"
                              y3="0.034096"
                              z3="0.12736"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982277"
                              y3="-0.560744"
                              z3="0.170249"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131936"
                              y3="0.783105"
                              z3="0.918347"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051208"
                              y3="0.547124"
                              z3="-0.835915"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735763"
                              y3="-3.646257"
                              z3="-0.010883"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.094101"
                              y3="-4.138113"
                              z3="0.745698"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.80358"
                              y3="-4.211453"
                              z3="-0.797615"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.843778"
                              y3="-5.171317"
                              z3="-2.353862"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.106581"
                              y3="-5.697159"
                              z3="-2.672052"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.618563"
                              y3="-5.501474"
                              z3="-2.813932"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.695052"
                              y3="-4.830296"
                              z3="2.336598"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.071612"
                              y3="-5.16473"
                              z3="2.985762"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.491523"
                              y3="-5.354431"
                              z3="2.448348"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173392"
                              y3="-0.901214"
                              z3="-0.238667"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903307"
                              y3="-1.403913"
                              z3="-0.149428"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827991"
                              y3="-0.502149"
                              z3="-0.0304"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046168"
                              y3="0.887416"
                              z3="-0.001886"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374544"
                              y3="1.3710"
                              z3="-0.097865"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414109"
                              y3="0.492791"
                              z3="-0.213958"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706627"
                              y3="-2.468813"
                              z3="-0.163354"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083579"
                              y3="1.727231"
                              z3="0.120275"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546881"
                              y3="2.440554"
                              z3="-0.077004"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430471"
                              y3="0.858552"
                              z3="-0.287108"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346141"
                              y3="1.203105"
                              z3="0.211187"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525489"
                              y3="-0.18939"
                              z3="0.181685"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061195"
                              y3="2.801883"
                              z3="0.141616"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.209007"
                              y3="1.845363"
                              z3="0.303077"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458268"
                              y3="-0.968445"
                              z3="0.059538"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596675"
                              y3="-2.005287"
                              z3="0.025126"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011709"
                              y3="-1.581238"
                              z3="-0.32908"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859088"
                              y3="-0.875324"
                              z3="0.30101"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881034"
                              y3="-1.690152"
                              z3="-0.426709"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885984"
                              y3="-1.356279"
                              z3="1.284627"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070274"
                              y3="0.034045"
                              z3="0.127594"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982255"
                              y3="-0.560827"
                              z3="0.17058"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131929"
                              y3="0.783139"
                              z3="0.918525"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051271"
                              y3="0.546991"
                              z3="-0.835745"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735874"
                              y3="-3.646243"
                              z3="-0.010783"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.094416"
                              y3="-4.138084"
                              z3="0.745719"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.803523"
                              y3="-4.211431"
                              z3="-0.79753"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.843099"
                              y3="-5.171156"
                              z3="-2.353838"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.105675"
                              y3="-5.69682"
                              z3="-2.671793"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.617666"
                              y3="-5.501586"
                              z3="-2.814077"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.695767"
                              y3="-4.830168"
                              z3="2.336466"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.072463"
                              y3="-5.164597"
                              z3="2.985766"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.492216"
                              y3="-5.354387"
                              z3="2.447963"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17341"
                              y3="-0.901198"
                              z3="-0.240592"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903407"
                              y3="-1.403943"
                              z3="-0.150419"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828124"
                              y3="-0.502215"
                              z3="-0.030881"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046245"
                              y3="0.887364"
                              z3="-0.002783"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374524"
                              y3="1.3710"
                              z3="-0.099763"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414062"
                              y3="0.492823"
                              z3="-0.216354"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.70679"
                              y3="-2.468862"
                              z3="-0.163929"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083471"
                              y3="1.727139"
                              z3="0.120032"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54682"
                              y3="2.440567"
                              z3="-0.079237"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430354"
                              y3="0.858626"
                              z3="-0.290249"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345926"
                              y3="1.202955"
                              z3="0.211984"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52522"
                              y3="-0.189566"
                              z3="0.182847"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061255"
                              y3="2.801805"
                              z3="0.14106"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208764"
                              y3="1.845178"
                              z3="0.304392"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458049"
                              y3="-0.968572"
                              z3="0.06003"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596466"
                              y3="-2.005422"
                              z3="0.025702"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011706"
                              y3="-1.581197"
                              z3="-0.331372"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858695"
                              y3="-0.875547"
                              z3="0.303294"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881004"
                              y3="-1.690758"
                              z3="-0.423988"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88498"
                              y3="-1.355999"
                              z3="1.287183"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070039"
                              y3="0.033655"
                              z3="0.130146"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981958"
                              y3="-0.561247"
                              z3="0.173972"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131274"
                              y3="0.783124"
                              z3="0.920737"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051636"
                              y3="0.546123"
                              z3="-0.833445"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736449"
                              y3="-3.646285"
                              z3="-0.010437"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.097085"
                              y3="-4.137949"
                              z3="0.745174"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.80229"
                              y3="-4.211433"
                              z3="-0.797374"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.837239"
                              y3="-5.170807"
                              z3="-2.354023"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.098249"
                              y3="-5.695259"
                              z3="-2.670352"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.610485"
                              y3="-5.503646"
                              z3="-2.814757"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.702668"
                              y3="-4.829072"
                              z3="2.33483"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.080884"
                              y3="-5.163167"
                              z3="2.985756"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.499164"
                              y3="-5.353645"
                              z3="2.444342"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173387"
                              y3="-0.901278"
                              z3="-0.240653"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903385"
                              y3="-1.404004"
                              z3="-0.150374"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82811"
                              y3="-0.50226"
                              z3="-0.030843"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046241"
                              y3="0.887319"
                              z3="-0.002845"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374524"
                              y3="1.370938"
                              z3="-0.099922"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414051"
                              y3="0.492745"
                              z3="-0.21652"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706763"
                              y3="-2.468922"
                              z3="-0.163795"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083463"
                              y3="1.727112"
                              z3="0.11994"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546826"
                              y3="2.440505"
                              z3="-0.079469"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430345"
                              y3="0.858534"
                              z3="-0.290496"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345925"
                              y3="1.202946"
                              z3="0.211951"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525227"
                              y3="-0.189571"
                              z3="0.18292"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061272"
                              y3="2.801778"
                              z3="0.140883"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208757"
                              y3="1.845183"
                              z3="0.30431"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458059"
                              y3="-0.968598"
                              z3="0.060139"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596488"
                              y3="-2.005446"
                              z3="0.025912"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011676"
                              y3="-1.581289"
                              z3="-0.331437"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858696"
                              y3="-0.875543"
                              z3="0.303415"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880972"
                              y3="-1.690808"
                              z3="-0.423798"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884989"
                              y3="-1.355921"
                              z3="1.287331"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070062"
                              y3="0.033621"
                              z3="0.130144"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981965"
                              y3="-0.561302"
                              z3="0.174046"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131327"
                              y3="0.783215"
                              z3="0.920637"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051666"
                              y3="0.545956"
                              z3="-0.833536"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736499"
                              y3="-3.646282"
                              z3="-0.010199"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.097176"
                              y3="-4.137989"
                              z3="0.745372"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.802347"
                              y3="-4.211353"
                              z3="-0.797184"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.837008"
                              y3="-5.170394"
                              z3="-2.354009"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.097901"
                              y3="-5.694704"
                              z3="-2.670296"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.610123"
                              y3="-5.503168"
                              z3="-2.815006"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.702823"
                              y3="-4.829225"
                              z3="2.33487"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.081061"
                              y3="-5.163448"
                              z3="2.985755"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.499344"
                              y3="-5.353777"
                              z3="2.444287"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173492"
                              y3="-0.901104"
                              z3="-0.240443"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903493"
                              y3="-1.403887"
                              z3="-0.150421"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828176"
                              y3="-0.502199"
                              z3="-0.030866"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046262"
                              y3="0.887382"
                              z3="-0.002595"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374543"
                              y3="1.371059"
                              z3="-0.099418"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414112"
                              y3="0.492921"
                              z3="-0.216032"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706905"
                              y3="-2.468807"
                              z3="-0.16407"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083479"
                              y3="1.727115"
                              z3="0.120222"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546811"
                              y3="2.440627"
                              z3="-0.078762"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430404"
                              y3="0.858754"
                              z3="-0.289811"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345937"
                              y3="1.202894"
                              z3="0.212003"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525196"
                              y3="-0.18962"
                              z3="0.182684"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061222"
                              y3="2.801781"
                              z3="0.141379"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208797"
                              y3="1.845087"
                              z3="0.304409"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457989"
                              y3="-0.96859"
                              z3="0.05988"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59639"
                              y3="-2.005429"
                              z3="0.025438"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011813"
                              y3="-1.581072"
                              z3="-0.331239"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858658"
                              y3="-0.875659"
                              z3="0.302891"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880894"
                              y3="-1.690681"
                              z3="-0.424599"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884981"
                              y3="-1.356366"
                              z3="1.286646"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070031"
                              y3="0.033544"
                              z3="0.129874"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981925"
                              y3="-0.56142"
                              z3="0.173363"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131429"
                              y3="0.782763"
                              z3="0.920704"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051516"
                              y3="0.546325"
                              z3="-0.833558"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736373"
                              y3="-3.646298"
                              z3="-0.010609"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.096837"
                              y3="-4.137915"
                              z3="0.745115"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.802242"
                              y3="-4.211545"
                              z3="-0.797469"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.83803"
                              y3="-5.170835"
                              z3="-2.354146"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.099453"
                              y3="-5.695769"
                              z3="-2.670634"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.611678"
                              y3="-5.503568"
                              z3="-2.814278"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.702079"
                              y3="-4.828823"
                              z3="2.335047"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.080152"
                              y3="-5.162592"
                              z3="2.986005"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.498467"
                              y3="-5.353505"
                              z3="2.44482"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173574"
                              y3="-0.900971"
                              z3="-0.240242"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903574"
                              y3="-1.403803"
                              z3="-0.150527"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828219"
                              y3="-0.502166"
                              z3="-0.030919"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046268"
                              y3="0.887414"
                              z3="-0.002293"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374552"
                              y3="1.371144"
                              z3="-0.098804"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414158"
                              y3="0.493054"
                              z3="-0.215466"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707013"
                              y3="-2.468725"
                              z3="-0.16446"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083509"
                              y3="1.727095"
                              z3="0.120567"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54679"
                              y3="2.440712"
                              z3="-0.077879"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430452"
                              y3="0.858928"
                              z3="-0.289009"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345967"
                              y3="1.202823"
                              z3="0.212044"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52519"
                              y3="-0.189688"
                              z3="0.182366"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061165"
                              y3="2.801759"
                              z3="0.142006"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208854"
                              y3="1.844973"
                              z3="0.304495"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45795"
                              y3="-0.968607"
                              z3="0.059537"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596316"
                              y3="-2.005441"
                              z3="0.024888"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011924"
                              y3="-1.5809"
                              z3="-0.331078"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858656"
                              y3="-0.875778"
                              z3="0.302233"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880845"
                              y3="-1.690544"
                              z3="-0.425547"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885038"
                              y3="-1.356836"
                              z3="1.285817"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070014"
                              y3="0.033488"
                              z3="0.12947"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981904"
                              y3="-0.56152"
                              z3="0.172477"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131564"
                              y3="0.782289"
                              z3="0.920684"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051338"
                              y3="0.54678"
                              z3="-0.833689"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736198"
                              y3="-3.646338"
                              z3="-0.010947"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.096377"
                              y3="-4.137844"
                              z3="0.744979"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.802093"
                              y3="-4.211799"
                              z3="-0.797652"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.839189"
                              y3="-5.171125"
                              z3="-2.354267"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.101226"
                              y3="-5.696768"
                              z3="-2.67101"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.613449"
                              y3="-5.503714"
                              z3="-2.813474"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.701085"
                              y3="-4.828394"
                              z3="2.335352"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.078929"
                              y3="-5.161677"
                              z3="2.986341"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.497298"
                              y3="-5.353251"
                              z3="2.445538"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173629"
                              y3="-0.900919"
                              z3="-0.239931"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903623"
                              y3="-1.403777"
                              z3="-0.150446"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828239"
                              y3="-0.502165"
                              z3="-0.030902"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046266"
                              y3="0.887416"
                              z3="-0.002113"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374558"
                              y3="1.371172"
                              z3="-0.098387"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414192"
                              y3="0.493107"
                              z3="-0.214985"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707076"
                              y3="-2.4687"
                              z3="-0.164514"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083538"
                              y3="1.727071"
                              z3="0.120668"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54678"
                              y3="2.44074"
                              z3="-0.077336"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430492"
                              y3="0.8590"
                              z3="-0.288347"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346005"
                              y3="1.202775"
                              z3="0.21191"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525205"
                              y3="-0.189735"
                              z3="0.182069"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.06112"
                              y3="2.801735"
                              z3="0.142236"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208915"
                              y3="1.844905"
                              z3="0.304304"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457937"
                              y3="-0.968631"
                              z3="0.059326"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596277"
                              y3="-2.005465"
                              z3="0.024616"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011999"
                              y3="-1.580829"
                              z3="-0.330718"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85868"
                              y3="-0.875853"
                              z3="0.301669"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880811"
                              y3="-1.690448"
                              z3="-0.426302"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885136"
                              y3="-1.357141"
                              z3="1.285135"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070025"
                              y3="0.033454"
                              z3="0.129027"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981913"
                              y3="-0.561583"
                              z3="0.171691"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131698"
                              y3="0.781989"
                              z3="0.920489"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051214"
                              y3="0.547077"
                              z3="-0.833958"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735996"
                              y3="-3.646379"
                              z3="-0.010991"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.095866"
                              y3="-4.137882"
                              z3="0.745083"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.801965"
                              y3="-4.211933"
                              z3="-0.797623"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.840298"
                              y3="-5.170797"
                              z3="-2.354463"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.102937"
                              y3="-5.69721"
                              z3="-2.671337"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.615119"
                              y3="-5.503208"
                              z3="-2.812858"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.700038"
                              y3="-4.828403"
                              z3="2.335695"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.077663"
                              y3="-5.161282"
                              z3="2.986683"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.496038"
                              y3="-5.35353"
                              z3="2.446139"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173649"
                              y3="-0.90091"
                              z3="-0.239776"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903643"
                              y3="-1.403775"
                              z3="-0.150335"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828247"
                              y3="-0.502168"
                              z3="-0.030855"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046264"
                              y3="0.887415"
                              z3="-0.002085"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374557"
                              y3="1.371178"
                              z3="-0.098308"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414202"
                              y3="0.493118"
                              z3="-0.214844"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707103"
                              y3="-2.4687"
                              z3="-0.164396"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083551"
                              y3="1.727066"
                              z3="0.120621"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546771"
                              y3="2.440748"
                              z3="-0.07727"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430502"
                              y3="0.859017"
                              z3="-0.288171"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34602"
                              y3="1.202765"
                              z3="0.211806"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525209"
                              y3="-0.189746"
                              z3="0.181989"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.0611"
                              y3="2.801731"
                              z3="0.142174"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208937"
                              y3="1.844891"
                              z3="0.304142"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45793"
                              y3="-0.968639"
                              z3="0.059321"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596261"
                              y3="-2.005476"
                              z3="0.024635"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012027"
                              y3="-1.580816"
                              z3="-0.330519"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858687"
                              y3="-0.87587"
                              z3="0.301532"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880793"
                              y3="-1.690451"
                              z3="-0.426457"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885174"
                              y3="-1.357178"
                              z3="1.284988"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070028"
                              y3="0.033438"
                              z3="0.128866"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981916"
                              y3="-0.561602"
                              z3="0.171487"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131728"
                              y3="0.781957"
                              z3="0.920342"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051186"
                              y3="0.547081"
                              z3="-0.834107"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735904"
                              y3="-3.646398"
                              z3="-0.010944"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.095673"
                              y3="-4.137927"
                              z3="0.74516"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.801966"
                              y3="-4.211925"
                              z3="-0.797588"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.840684"
                              y3="-5.170578"
                              z3="-2.354552"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.103509"
                              y3="-5.697223"
                              z3="-2.671479"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.615673"
                              y3="-5.502866"
                              z3="-2.812749"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.699653"
                              y3="-4.828537"
                              z3="2.335809"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.077222"
                              y3="-5.161417"
                              z3="2.986741"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.495659"
                              y3="-5.353633"
                              z3="2.446352"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173667"
                              y3="-0.900909"
                              z3="-0.239527"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903658"
                              y3="-1.403778"
                              z3="-0.150166"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82825"
                              y3="-0.502172"
                              z3="-0.030789"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046258"
                              y3="0.887414"
                              z3="-0.002046"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374557"
                              y3="1.371181"
                              z3="-0.09818"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414213"
                              y3="0.493122"
                              z3="-0.214612"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707122"
                              y3="-2.468703"
                              z3="-0.164222"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083569"
                              y3="1.727063"
                              z3="0.120541"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546764"
                              y3="2.440752"
                              z3="-0.077157"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430517"
                              y3="0.859023"
                              z3="-0.287869"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346044"
                              y3="1.202761"
                              z3="0.211639"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525225"
                              y3="-0.189752"
                              z3="0.181858"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061075"
                              y3="2.80173"
                              z3="0.142073"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208972"
                              y3="1.844887"
                              z3="0.303883"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457932"
                              y3="-0.968644"
                              z3="0.059307"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59625"
                              y3="-2.005485"
                              z3="0.02466"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012054"
                              y3="-1.580813"
                              z3="-0.330192"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858709"
                              y3="-0.875879"
                              z3="0.301321"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880778"
                              y3="-1.690449"
                              z3="-0.426681"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.885249"
                              y3="-1.357198"
                              z3="1.284769"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070042"
                              y3="0.033428"
                              z3="0.128601"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981933"
                              y3="-0.56161"
                              z3="0.17119"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131771"
                              y3="0.781952"
                              z3="0.92007"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051162"
                              y3="0.547065"
                              z3="-0.834374"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735746"
                              y3="-3.646425"
                              z3="-0.010868"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.095343"
                              y3="-4.1380"
                              z3="0.745288"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.802048"
                              y3="-4.21188"
                              z3="-0.797545"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.841309"
                              y3="-5.170207"
                              z3="-2.354694"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.104393"
                              y3="-5.697252"
                              z3="-2.671561"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.6165"
                              y3="-5.502348"
                              z3="-2.812658"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.698977"
                              y3="-4.828791"
                              z3="2.335979"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.076441"
                              y3="-5.161756"
                              z3="2.986768"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.49504"
                              y3="-5.353757"
                              z3="2.446723"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173632"
                              y3="-0.900888"
                              z3="-0.240337"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903641"
                              y3="-1.403759"
                              z3="-0.150718"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828263"
                              y3="-0.502161"
                              z3="-0.031014"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046282"
                              y3="0.88742"
                              z3="-0.002193"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374558"
                              y3="1.371191"
                              z3="-0.098608"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414185"
                              y3="0.49314"
                              z3="-0.215368"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707105"
                              y3="-2.468684"
                              z3="-0.164789"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083515"
                              y3="1.727059"
                              z3="0.120762"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546774"
                              y3="2.44076"
                              z3="-0.077532"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430472"
                              y3="0.859045"
                              z3="-0.288839"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345964"
                              y3="1.202749"
                              z3="0.212136"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525158"
                              y3="-0.189762"
                              z3="0.182252"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061137"
                              y3="2.801723"
                              z3="0.14236"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208868"
                              y3="1.844866"
                              z3="0.304668"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457897"
                              y3="-0.968641"
                              z3="0.059344"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596247"
                              y3="-2.005472"
                              z3="0.02458"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011997"
                              y3="-1.580787"
                              z3="-0.331247"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858615"
                              y3="-0.875896"
                              z3="0.301976"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880828"
                              y3="-1.690459"
                              z3="-0.426028"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884953"
                              y3="-1.357233"
                              z3="1.285423"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069981"
                              y3="0.033417"
                              z3="0.129517"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98186"
                              y3="-0.561629"
                              z3="0.172213"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131587"
                              y3="0.781885"
                              z3="0.921046"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051261"
                              y3="0.547119"
                              z3="-0.833424"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736232"
                              y3="-3.646356"
                              z3="-0.011074"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.096431"
                              y3="-4.137772"
                              z3="0.744898"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.801678"
                              y3="-4.212059"
                              z3="-0.797642"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.83925"
                              y3="-5.171301"
                              z3="-2.35429"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.10158"
                              y3="-5.697185"
                              z3="-2.67132"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.613856"
                              y3="-5.503883"
                              z3="-2.812921"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.701257"
                              y3="-4.827959"
                              z3="2.335432"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.079115"
                              y3="-5.160693"
                              z3="2.986715"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.497211"
                              y3="-5.353223"
                              z3="2.445552"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173588"
                              y3="-0.900915"
                              z3="-0.240748"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903604"
                              y3="-1.40377"
                              z3="-0.150957"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828251"
                              y3="-0.502162"
                              z3="-0.031122"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046288"
                              y3="0.887416"
                              z3="-0.002336"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374556"
                              y3="1.371173"
                              z3="-0.098937"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414159"
                              y3="0.49311"
                              z3="-0.215829"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707059"
                              y3="-2.468694"
                              z3="-0.164976"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083483"
                              y3="1.727068"
                              z3="0.120778"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546787"
                              y3="2.44074"
                              z3="-0.077892"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43044"
                              y3="0.859005"
                              z3="-0.289437"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345924"
                              y3="1.20277"
                              z3="0.21234"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525136"
                              y3="-0.18974"
                              z3="0.182481"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061182"
                              y3="2.801731"
                              z3="0.142348"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208808"
                              y3="1.844895"
                              z3="0.304996"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457901"
                              y3="-0.968629"
                              z3="0.059412"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596276"
                              y3="-2.005454"
                              z3="0.024633"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011935"
                              y3="-1.580824"
                              z3="-0.331752"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858582"
                              y3="-0.87586"
                              z3="0.302395"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880888"
                              y3="-1.690453"
                              z3="-0.425572"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884801"
                              y3="-1.35716"
                              z3="1.285864"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069964"
                              y3="0.033455"
                              z3="0.130052"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981841"
                              y3="-0.561586"
                              z3="0.172873"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131475"
                              y3="0.781949"
                              z3="0.921565"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051353"
                              y3="0.547127"
                              z3="-0.832909"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73652"
                              y3="-3.646307"
                              z3="-0.011098"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.097039"
                              y3="-4.137691"
                              z3="0.744742"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.801449"
                              y3="-4.212114"
                              z3="-0.797631"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.838007"
                              y3="-5.171718"
                              z3="-2.354088"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.099901"
                              y3="-5.696987"
                              z3="-2.671121"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.612256"
                              y3="-5.50458"
                              z3="-2.813117"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.702527"
                              y3="-4.827708"
                              z3="2.335105"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.080612"
                              y3="-5.160347"
                              z3="2.986655"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.498406"
                              y3="-5.353173"
                              z3="2.444811"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173568"
                              y3="-0.900853"
                              z3="-0.241818"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903614"
                              y3="-1.403723"
                              z3="-0.151676"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828291"
                              y3="-0.502137"
                              z3="-0.031426"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046326"
                              y3="0.887438"
                              z3="-0.002561"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374558"
                              y3="1.371214"
                              z3="-0.099535"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414132"
                              y3="0.493172"
                              z3="-0.216845"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707084"
                              y3="-2.468651"
                              z3="-0.165699"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083416"
                              y3="1.727066"
                              z3="0.121016"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546788"
                              y3="2.44078"
                              z3="-0.078431"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430387"
                              y3="0.859083"
                              z3="-0.290738"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345818"
                              y3="1.202744"
                              z3="0.212941"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525031"
                              y3="-0.189766"
                              z3="0.182978"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061246"
                              y3="2.801728"
                              z3="0.142658"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208679"
                              y3="1.84485"
                              z3="0.305958"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457826"
                              y3="-0.968627"
                              z3="0.059465"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596233"
                              y3="-2.005441"
                              z3="0.02456"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011894"
                              y3="-1.580745"
                              z3="-0.333138"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858432"
                              y3="-0.87591"
                              z3="0.30323"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88094"
                              y3="-1.690446"
                              z3="-0.424795"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884356"
                              y3="-1.3573"
                              z3="1.286665"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069871"
                              y3="0.033411"
                              z3="0.13132"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981729"
                              y3="-0.561645"
                              z3="0.174329"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131173"
                              y3="0.781821"
                              z3="0.922926"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051533"
                              y3="0.547183"
                              z3="-0.831592"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737135"
                              y3="-3.646218"
                              z3="-0.011299"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098495"
                              y3="-4.137406"
                              z3="0.744264"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.80082"
                              y3="-4.212362"
                              z3="-0.797688"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.835231"
                              y3="-5.173006"
                              z3="-2.353578"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.096259"
                              y3="-5.696987"
                              z3="-2.670715"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.608802"
                              y3="-5.506425"
                              z3="-2.81334"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.705625"
                              y3="-4.826711"
                              z3="2.334334"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.084283"
                              y3="-5.159214"
                              z3="2.9865"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.5015"
                              y3="-5.352348"
                              z3="2.44326"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173537"
                              y3="-0.900902"
                              z3="-0.241865"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90358"
                              y3="-1.403753"
                              z3="-0.151652"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82827"
                              y3="-0.502148"
                              z3="-0.031428"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046321"
                              y3="0.887426"
                              z3="-0.002658"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374556"
                              y3="1.371182"
                              z3="-0.09971"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414117"
                              y3="0.493121"
                              z3="-0.216994"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707039"
                              y3="-2.468679"
                              z3="-0.165596"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083407"
                              y3="1.727073"
                              z3="0.12091"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546797"
                              y3="2.440747"
                              z3="-0.078683"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430373"
                              y3="0.859017"
                              z3="-0.290944"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345812"
                              y3="1.20277"
                              z3="0.212921"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52504"
                              y3="-0.18974"
                              z3="0.183044"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061266"
                              y3="2.801735"
                              z3="0.142476"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208662"
                              y3="1.84489"
                              z3="0.305931"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457848"
                              y3="-0.96862"
                              z3="0.059534"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596267"
                              y3="-2.005434"
                              z3="0.024677"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011853"
                              y3="-1.58081"
                              z3="-0.33316"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858443"
                              y3="-0.875865"
                              z3="0.303388"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88098"
                              y3="-1.690448"
                              z3="-0.424583"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884337"
                              y3="-1.35719"
                              z3="1.286855"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069881"
                              y3="0.033454"
                              z3="0.131461"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981743"
                              y3="-0.561591"
                              z3="0.174564"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13114"
                              y3="0.781932"
                              z3="0.923008"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051585"
                              y3="0.547144"
                              z3="-0.831497"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737216"
                              y3="-3.646202"
                              z3="-0.011215"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098637"
                              y3="-4.13744"
                              z3="0.744286"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800774"
                              y3="-4.212317"
                              z3="-0.797634"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.834855"
                              y3="-5.172857"
                              z3="-2.353584"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.095769"
                              y3="-5.69675"
                              z3="-2.670599"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.60831"
                              y3="-5.506398"
                              z3="-2.813455"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.705933"
                              y3="-4.82685"
                              z3="2.334244"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.084643"
                              y3="-5.159287"
                              z3="2.986495"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.501729"
                              y3="-5.352643"
                              z3="2.442992"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173519"
                              y3="-0.900936"
                              z3="-0.242978"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903607"
                              y3="-1.403796"
                              z3="-0.15218"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828326"
                              y3="-0.502194"
                              z3="-0.031657"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046361"
                              y3="0.887386"
                              z3="-0.003155"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374545"
                              y3="1.371153"
                              z3="-0.100803"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414077"
                              y3="0.493096"
                              z3="-0.218395"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707089"
                              y3="-2.468731"
                              z3="-0.165879"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083338"
                              y3="1.727025"
                              z3="0.12077"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546775"
                              y3="2.440726"
                              z3="-0.079985"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430295"
                              y3="0.859003"
                              z3="-0.29281"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34569"
                              y3="1.202706"
                              z3="0.213361"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524907"
                              y3="-0.189814"
                              z3="0.183718"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061321"
                              y3="2.801692"
                              z3="0.142149"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208514"
                              y3="1.844818"
                              z3="0.306649"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457745"
                              y3="-0.968681"
                              z3="0.059879"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596194"
                              y3="-2.005491"
                              z3="0.025096"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011814"
                              y3="-1.580841"
                              z3="-0.33452"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858252"
                              y3="-0.875956"
                              z3="0.304612"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881022"
                              y3="-1.690614"
                              z3="-0.42327"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883798"
                              y3="-1.357194"
                              z3="1.288134"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069763"
                              y3="0.033325"
                              z3="0.133011"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981604"
                              y3="-0.561715"
                              z3="0.176588"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130709"
                              y3="0.781939"
                              z3="0.924447"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051857"
                              y3="0.546843"
                              z3="-0.83004"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73785"
                              y3="-3.646175"
                              z3="-0.011091"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.100364"
                              y3="-4.137424"
                              z3="0.743871"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800029"
                              y3="-4.212309"
                              z3="-0.79761"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.831212"
                              y3="-5.172645"
                              z3="-2.353759"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.091373"
                              y3="-5.69613"
                              z3="-2.669696"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.604009"
                              y3="-5.507491"
                              z3="-2.813785"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709911"
                              y3="-4.82631"
                              z3="2.33327"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089429"
                              y3="-5.157984"
                              z3="2.986673"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.505456"
                              y3="-5.352713"
                              z3="2.440914"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173429"
                              y3="-0.901086"
                              z3="-0.242858"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903498"
                              y3="-1.403882"
                              z3="-0.151996"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828251"
                              y3="-0.502225"
                              z3="-0.031608"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04634"
                              y3="0.887351"
                              z3="-0.003309"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374544"
                              y3="1.371053"
                              z3="-0.101037"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414043"
                              y3="0.49294"
                              z3="-0.21849"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706939"
                              y3="-2.46881"
                              z3="-0.165537"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083326"
                              y3="1.727051"
                              z3="0.120504"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546815"
                              y3="2.440621"
                              z3="-0.080382"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430276"
                              y3="0.858795"
                              z3="-0.292953"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345698"
                              y3="1.202794"
                              z3="0.213193"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524967"
                              y3="-0.189723"
                              z3="0.183751"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061373"
                              y3="2.801716"
                              z3="0.141711"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208498"
                              y3="1.844953"
                              z3="0.306388"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457835"
                              y3="-0.96865"
                              z3="0.060002"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596318"
                              y3="-2.005458"
                              z3="0.025352"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011697"
                              y3="-1.581036"
                              z3="-0.334276"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858331"
                              y3="-0.8758"
                              z3="0.304775"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881129"
                              y3="-1.690572"
                              z3="-0.422976"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883877"
                              y3="-1.356882"
                              z3="1.288369"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069826"
                              y3="0.033481"
                              z3="0.133042"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98168"
                              y3="-0.561527"
                              z3="0.176814"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130708"
                              y3="0.782288"
                              z3="0.924309"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051964"
                              y3="0.546771"
                              z3="-0.830139"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737979"
                              y3="-3.646135"
                              z3="-0.010875"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.100385"
                              y3="-4.137517"
                              z3="0.744057"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800229"
                              y3="-4.212149"
                              z3="-0.797471"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.831017"
                              y3="-5.172282"
                              z3="-2.353718"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.090949"
                              y3="-5.69554"
                              z3="-2.669491"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.603543"
                              y3="-5.507106"
                              z3="-2.814223"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709827"
                              y3="-4.826825"
                              z3="2.333276"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089286"
                              y3="-5.158391"
                              z3="2.986684"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.505132"
                              y3="-5.353648"
                              z3="2.440642"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173596"
                              y3="-0.900824"
                              z3="-0.243076"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903704"
                              y3="-1.403735"
                              z3="-0.152297"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828391"
                              y3="-0.502182"
                              z3="-0.03173"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046377"
                              y3="0.887405"
                              z3="-0.003164"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374544"
                              y3="1.371226"
                              z3="-0.100802"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414105"
                              y3="0.493215"
                              z3="-0.218437"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707229"
                              y3="-2.468676"
                              z3="-0.166028"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083349"
                              y3="1.726999"
                              z3="0.120812"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546735"
                              y3="2.440803"
                              z3="-0.079935"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43031"
                              y3="0.859162"
                              z3="-0.292835"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345684"
                              y3="1.202632"
                              z3="0.213389"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524848"
                              y3="-0.189892"
                              z3="0.183676"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061274"
                              y3="2.80167"
                              z3="0.14224"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208532"
                              y3="1.844709"
                              z3="0.306718"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45766"
                              y3="-0.968718"
                              z3="0.059788"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596079"
                              y3="-2.00553"
                              z3="0.024969"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011912"
                              y3="-1.580693"
                              z3="-0.33464"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858167"
                              y3="-0.876088"
                              z3="0.304555"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88095"
                              y3="-1.690657"
                              z3="-0.423424"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883642"
                              y3="-1.357445"
                              z3="1.288017"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069718"
                              y3="0.033172"
                              z3="0.133124"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981533"
                              y3="-0.561918"
                              z3="0.176561"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130711"
                              y3="0.781627"
                              z3="0.924711"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051821"
                              y3="0.546885"
                              z3="-0.829824"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737671"
                              y3="-3.646227"
                              z3="-0.01104"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.100379"
                              y3="-4.137377"
                              z3="0.743893"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.799601"
                              y3="-4.212477"
                              z3="-0.797496"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.831125"
                              y3="-5.172526"
                              z3="-2.353823"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.091502"
                              y3="-5.696261"
                              z3="-2.669849"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.604157"
                              y3="-5.507443"
                              z3="-2.813414"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.710242"
                              y3="-4.826125"
                              z3="2.333251"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089919"
                              y3="-5.158249"
                              z3="2.986583"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.506185"
                              y3="-5.35189"
                              z3="2.441056"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173631"
                              y3="-0.900779"
                              z3="-0.242887"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903738"
                              y3="-1.403706"
                              z3="-0.152211"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828407"
                              y3="-0.502167"
                              z3="-0.031693"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046376"
                              y3="0.887422"
                              z3="-0.00307"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374545"
                              y3="1.371259"
                              z3="-0.100603"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414125"
                              y3="0.493262"
                              z3="-0.218192"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707275"
                              y3="-2.468648"
                              z3="-0.165987"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083367"
                              y3="1.7270"
                              z3="0.120851"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546723"
                              y3="2.440837"
                              z3="-0.079696"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430331"
                              y3="0.859221"
                              z3="-0.292514"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345703"
                              y3="1.202616"
                              z3="0.213326"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524851"
                              y3="-0.189907"
                              z3="0.183555"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061243"
                              y3="2.801672"
                              z3="0.142317"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208564"
                              y3="1.844682"
                              z3="0.306613"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457647"
                              y3="-0.968719"
                              z3="0.059716"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596045"
                              y3="-2.005533"
                              z3="0.024868"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011962"
                              y3="-1.580637"
                              z3="-0.334414"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858169"
                              y3="-0.876121"
                              z3="0.304322"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880906"
                              y3="-1.690646"
                              z3="-0.423708"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883688"
                              y3="-1.357535"
                              z3="1.287755"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.06972"
                              y3="0.033141"
                              z3="0.132889"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98153"
                              y3="-0.561969"
                              z3="0.176197"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130781"
                              y3="0.781515"
                              z3="0.924549"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051759"
                              y3="0.546952"
                              z3="-0.83001"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737512"
                              y3="-3.64624"
                              z3="-0.011082"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.10009"
                              y3="-4.137363"
                              z3="0.743932"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.799642"
                              y3="-4.212502"
                              z3="-0.797512"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.831777"
                              y3="-5.172588"
                              z3="-2.353789"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.092356"
                              y3="-5.696463"
                              z3="-2.670059"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.605003"
                              y3="-5.507267"
                              z3="-2.813225"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709646"
                              y3="-4.826107"
                              z3="2.33339"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089201"
                              y3="-5.158448"
                              z3="2.986495"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.505697"
                              y3="-5.351666"
                              z3="2.441405"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173607"
                              y3="-0.900808"
                              z3="-0.242724"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903699"
                              y3="-1.403719"
                              z3="-0.15216"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828375"
                              y3="-0.502168"
                              z3="-0.031667"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046364"
                              y3="0.887416"
                              z3="-0.002962"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374548"
                              y3="1.371237"
                              z3="-0.100377"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414121"
                              y3="0.493228"
                              z3="-0.217938"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707218"
                              y3="-2.468657"
                              z3="-0.166012"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083374"
                              y3="1.727006"
                              z3="0.12092"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546742"
                              y3="2.440812"
                              z3="-0.079404"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430339"
                              y3="0.859174"
                              z3="-0.29217"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345725"
                              y3="1.202638"
                              z3="0.213281"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524893"
                              y3="-0.189881"
                              z3="0.183435"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061251"
                              y3="2.801675"
                              z3="0.142453"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208582"
                              y3="1.844713"
                              z3="0.30654"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457693"
                              y3="-0.968704"
                              z3="0.059635"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596095"
                              y3="-2.005516"
                              z3="0.024757"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011933"
                              y3="-1.580676"
                              z3="-0.334234"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85823"
                              y3="-0.876079"
                              z3="0.30409"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880938"
                              y3="-1.690573"
                              z3="-0.423977"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883814"
                              y3="-1.357535"
                              z3="1.287501"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069756"
                              y3="0.033209"
                              z3="0.132628"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981578"
                              y3="-0.561886"
                              z3="0.175867"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130844"
                              y3="0.781554"
                              z3="0.924314"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051737"
                              y3="0.547058"
                              z3="-0.83025"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737439"
                              y3="-3.646237"
                              z3="-0.011155"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.099796"
                              y3="-4.137362"
                              z3="0.743964"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.79984"
                              y3="-4.21249"
                              z3="-0.797569"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.832364"
                              y3="-5.172705"
                              z3="-2.353758"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.093014"
                              y3="-5.696609"
                              z3="-2.670143"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.605643"
                              y3="-5.507206"
                              z3="-2.813231"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.708949"
                              y3="-4.826149"
                              z3="2.333559"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.088341"
                              y3="-5.158281"
                              z3="2.986614"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.504848"
                              y3="-5.351911"
                              z3="2.441701"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173649"
                              y3="-0.900771"
                              z3="-0.241914"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90371"
                              y3="-1.403693"
                              z3="-0.151843"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828356"
                              y3="-0.502155"
                              z3="-0.031504"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046346"
                              y3="0.887424"
                              z3="-0.002473"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374565"
                              y3="1.371253"
                              z3="-0.099374"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414169"
                              y3="0.493258"
                              z3="-0.216776"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707216"
                              y3="-2.468625"
                              z3="-0.165989"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083424"
                              y3="1.726999"
                              z3="0.121198"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546761"
                              y3="2.440822"
                              z3="-0.078144"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430413"
                              y3="0.85921"
                              z3="-0.290619"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345812"
                              y3="1.202626"
                              z3="0.213046"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52498"
                              y3="-0.189886"
                              z3="0.182902"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061203"
                              y3="2.801663"
                              z3="0.14298"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208694"
                              y3="1.844692"
                              z3="0.306142"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457746"
                              y3="-0.968697"
                              z3="0.059313"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596118"
                              y3="-2.005512"
                              z3="0.024298"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011997"
                              y3="-1.580626"
                              z3="-0.333308"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85836"
                              y3="-0.876095"
                              z3="0.303022"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880899"
                              y3="-1.690385"
                              z3="-0.425277"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884206"
                              y3="-1.35782"
                              z3="1.286293"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.06983"
                              y3="0.033257"
                              z3="0.131497"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981673"
                              y3="-0.561831"
                              z3="0.174375"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131087"
                              y3="0.781406"
                              z3="0.923358"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051576"
                              y3="0.547349"
                              z3="-0.831247"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736942"
                              y3="-3.646297"
                              z3="-0.01148"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098493"
                              y3="-4.13734"
                              z3="0.744081"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800646"
                              y3="-4.212493"
                              z3="-0.797828"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.83532"
                              y3="-5.173153"
                              z3="-2.353692"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.096477"
                              y3="-5.697339"
                              z3="-2.670795"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.609038"
                              y3="-5.506713"
                              z3="-2.813108"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.706068"
                              y3="-4.826004"
                              z3="2.334329"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.084794"
                              y3="-5.157603"
                              z3="2.987021"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.501503"
                              y3="-5.352351"
                              z3="2.443044"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173676"
                              y3="-0.900756"
                              z3="-0.241829"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903742"
                              y3="-1.403687"
                              z3="-0.151743"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828376"
                              y3="-0.502155"
                              z3="-0.031465"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04635"
                              y3="0.887428"
                              z3="-0.002509"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374564"
                              y3="1.371268"
                              z3="-0.099423"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414179"
                              y3="0.493278"
                              z3="-0.216766"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.70726"
                              y3="-2.468623"
                              z3="-0.165833"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083431"
                              y3="1.726999"
                              z3="0.121099"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546747"
                              y3="2.440841"
                              z3="-0.078252"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430419"
                              y3="0.859238"
                              z3="-0.29062"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345814"
                              y3="1.202617"
                              z3="0.212958"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524966"
                              y3="-0.189898"
                              z3="0.182888"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061185"
                              y3="2.801666"
                              z3="0.142821"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208704"
                              y3="1.84468"
                              z3="0.306004"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457722"
                              y3="-0.968705"
                              z3="0.05936"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596084"
                              y3="-2.005524"
                              z3="0.024397"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012032"
                              y3="-1.580607"
                              z3="-0.333178"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858341"
                              y3="-0.876116"
                              z3="0.303025"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880868"
                              y3="-1.690431"
                              z3="-0.425248"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884189"
                              y3="-1.357809"
                              z3="1.286311"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069818"
                              y3="0.033217"
                              z3="0.131459"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981656"
                              y3="-0.561879"
                              z3="0.174341"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131093"
                              y3="0.781388"
                              z3="0.923295"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051557"
                              y3="0.547279"
                              z3="-0.831301"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736883"
                              y3="-3.64631"
                              z3="-0.011378"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098442"
                              y3="-4.137379"
                              z3="0.744165"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800613"
                              y3="-4.212465"
                              z3="-0.797754"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.835444"
                              y3="-5.172943"
                              z3="-2.353734"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.096678"
                              y3="-5.697192"
                              z3="-2.670908"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.609229"
                              y3="-5.506422"
                              z3="-2.813094"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.706021"
                              y3="-4.826144"
                              z3="2.334368"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.084741"
                              y3="-5.157915"
                              z3="2.986968"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.501534"
                              y3="-5.352369"
                              z3="2.443107"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.172593"
                              y3="-0.901774"
                              z3="-0.244825"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.902476"
                              y3="-1.404226"
                              z3="-0.154503"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.827604"
                              y3="-0.502354"
                              z3="-0.032583"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046211"
                              y3="0.887086"
                              z3="-0.002175"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374587"
                              y3="1.370438"
                              z3="-0.099468"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413737"
                              y3="0.492114"
                              z3="-0.21845"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.705501"
                              y3="-2.469053"
                              z3="-0.169541"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083135"
                              y3="1.726993"
                              z3="0.12326"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.547274"
                              y3="2.439902"
                              z3="-0.077269"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430104"
                              y3="0.857703"
                              z3="-0.292584"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345678"
                              y3="1.203042"
                              z3="0.215515"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.525479"
                              y3="-0.189369"
                              z3="0.183876"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061955"
                              y3="2.80157"
                              z3="0.146085"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208227"
                              y3="1.845362"
                              z3="0.309978"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.458645"
                              y3="-0.96846"
                              z3="0.058555"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.597463"
                              y3="-2.005162"
                              z3="0.022336"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01059"
                              y3="-1.581892"
                              z3="-0.337358"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.859054"
                              y3="-0.875145"
                              z3="0.304121"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882274"
                              y3="-1.688819"
                              z3="-0.424831"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.8846"
                              y3="-1.357702"
                              z3="1.286975"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.070267"
                              y3="0.034858"
                              z3="0.134014"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.982335"
                              y3="-0.559862"
                              z3="0.177132"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130669"
                              y3="0.782505"
                              z3="0.926429"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.052462"
                              y3="0.549586"
                              z3="-0.828401"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.739671"
                              y3="-3.645806"
                              z3="-0.013713"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.101363"
                              y3="-4.136467"
                              z3="0.741996"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.801685"
                              y3="-4.212967"
                              z3="-0.799468"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.828328"
                              y3="-5.178478"
                              z3="-2.352392"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.08603"
                              y3="-5.699331"
                              z3="-2.666903"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.59874"
                              y3="-5.51426"
                              z3="-2.815738"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.710548"
                              y3="-4.822811"
                              z3="2.332724"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089804"
                              y3="-5.146174"
                              z3="2.990003"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.501476"
                              y3="-5.356477"
                              z3="2.438735"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173384"
                              y3="-0.900899"
                              z3="-0.243701"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903436"
                              y3="-1.403739"
                              z3="-0.153323"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828216"
                              y3="-0.502157"
                              z3="-0.032077"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046352"
                              y3="0.887385"
                              z3="-0.002428"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374571"
                              y3="1.371136"
                              z3="-0.099681"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41404"
                              y3="0.493099"
                              z3="-0.217991"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706846"
                              y3="-2.46865"
                              z3="-0.167849"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083287"
                              y3="1.727006"
                              z3="0.122164"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546876"
                              y3="2.440681"
                              z3="-0.078002"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430282"
                              y3="0.858993"
                              z3="-0.292112"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345677"
                              y3="1.202703"
                              z3="0.214313"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524996"
                              y3="-0.189779"
                              z3="0.183508"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061447"
                              y3="2.801647"
                              z3="0.14441"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208455"
                              y3="1.844803"
                              z3="0.308108"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457888"
                              y3="-0.968624"
                              z3="0.059021"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596409"
                              y3="-2.0054"
                              z3="0.023493"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011634"
                              y3="-1.580791"
                              z3="-0.335786"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858394"
                              y3="-0.875926"
                              z3="0.303836"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881247"
                              y3="-1.689961"
                              z3="-0.424736"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883956"
                              y3="-1.358013"
                              z3="1.286941"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.06984"
                              y3="0.033584"
                              z3="0.133018"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981715"
                              y3="-0.561452"
                              z3="0.175979"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130795"
                              y3="0.781466"
                              z3="0.925148"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051849"
                              y3="0.547999"
                              z3="-0.829555"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.738221"
                              y3="-3.646066"
                              z3="-0.012231"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.100431"
                              y3="-4.136735"
                              z3="0.743264"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800758"
                              y3="-4.212819"
                              z3="-0.798273"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.831388"
                              y3="-5.175934"
                              z3="-2.35272"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.090969"
                              y3="-5.698297"
                              z3="-2.669131"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.603603"
                              y3="-5.510119"
                              z3="-2.814184"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709491"
                              y3="-4.824194"
                              z3="2.333556"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.088694"
                              y3="-5.154723"
                              z3="2.987251"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.504322"
                              y3="-5.351655"
                              z3="2.441298"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173315"
                              y3="-0.90093"
                              z3="-0.243951"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903356"
                              y3="-1.403752"
                              z3="-0.153626"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828166"
                              y3="-0.502166"
                              z3="-0.032203"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046337"
                              y3="0.887364"
                              z3="-0.00233"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374566"
                              y3="1.371097"
                              z3="-0.099534"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414009"
                              y3="0.493054"
                              z3="-0.218012"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706737"
                              y3="-2.468654"
                              z3="-0.168331"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083278"
                              y3="1.72699"
                              z3="0.122459"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546901"
                              y3="2.440632"
                              z3="-0.077671"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43026"
                              y3="0.858935"
                              z3="-0.292088"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345675"
                              y3="1.202701"
                              z3="0.214576"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52503"
                              y3="-0.189772"
                              z3="0.183544"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061484"
                              y3="2.801623"
                              z3="0.144894"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208435"
                              y3="1.844804"
                              z3="0.308533"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457948"
                              y3="-0.968619"
                              z3="0.058874"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59649"
                              y3="-2.005384"
                              z3="0.023197"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011541"
                              y3="-1.580826"
                              z3="-0.336163"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858437"
                              y3="-0.875899"
                              z3="0.303839"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881338"
                              y3="-1.689849"
                              z3="-0.424827"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88397"
                              y3="-1.358096"
                              z3="1.286891"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069865"
                              y3="0.03367"
                              z3="0.133192"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981757"
                              y3="-0.561337"
                              z3="0.176176"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.13073"
                              y3="0.781483"
                              z3="0.925397"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051932"
                              y3="0.548175"
                              z3="-0.829338"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.738352"
                              y3="-3.646051"
                              z3="-0.012595"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.100595"
                              y3="-4.136622"
                              z3="0.742942"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800811"
                              y3="-4.212924"
                              z3="-0.798552"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.830975"
                              y3="-5.176544"
                              z3="-2.352655"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.09037"
                              y3="-5.698835"
                              z3="-2.668751"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.603003"
                              y3="-5.511029"
                              z3="-2.814225"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709685"
                              y3="-4.823611"
                              z3="2.333417"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.088916"
                              y3="-5.15378"
                              z3="2.987318"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.504382"
                              y3="-5.35128"
                              z3="2.441132"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173617"
                              y3="-0.900695"
                              z3="-0.242629"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903693"
                              y3="-1.403633"
                              z3="-0.152457"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82836"
                              y3="-0.502122"
                              z3="-0.031744"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046359"
                              y3="0.887449"
                              z3="-0.002423"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37456"
                              y3="1.371298"
                              z3="-0.09944"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414142"
                              y3="0.493328"
                              z3="-0.217227"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.7072"
                              y3="-2.468563"
                              z3="-0.166771"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.08339"
                              y3="1.727001"
                              z3="0.121625"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54676"
                              y3="2.440863"
                              z3="-0.077999"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430371"
                              y3="0.859297"
                              z3="-0.291167"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.34576"
                              y3="1.202609"
                              z3="0.213555"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524937"
                              y3="-0.189897"
                              z3="0.183096"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061242"
                              y3="2.80166"
                              z3="0.143629"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208627"
                              y3="1.844653"
                              z3="0.306941"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45773"
                              y3="-0.968683"
                              z3="0.059144"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596124"
                              y3="-2.005488"
                              z3="0.023898"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011948"
                              y3="-1.580532"
                              z3="-0.334308"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858307"
                              y3="-0.876119"
                              z3="0.303248"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880961"
                              y3="-1.690238"
                              z3="-0.425239"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884021"
                              y3="-1.358084"
                              z3="1.286407"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069785"
                              y3="0.033292"
                              z3="0.1321"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981626"
                              y3="-0.561807"
                              z3="0.174855"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130982"
                              y3="0.781195"
                              z3="0.924194"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051598"
                              y3="0.547682"
                              z3="-0.830487"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737251"
                              y3="-3.646229"
                              z3="-0.011712"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.09915"
                              y3="-4.137016"
                              z3="0.743854"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800416"
                              y3="-4.212784"
                              z3="-0.797845"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.834003"
                              y3="-5.174733"
                              z3="-2.352983"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.094659"
                              y3="-5.697911"
                              z3="-2.670565"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.607251"
                              y3="-5.507846"
                              z3="-2.813509"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.70746"
                              y3="-4.825175"
                              z3="2.334027"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.086475"
                              y3="-5.156851"
                              z3="2.986956"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.50304"
                              y3="-5.351351"
                              z3="2.442505"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173831"
                              y3="-0.900484"
                              z3="-0.241828"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903927"
                              y3="-1.403512"
                              z3="-0.151861"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828496"
                              y3="-0.502064"
                              z3="-0.031518"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046379"
                              y3="0.88753"
                              z3="-0.002367"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374566"
                              y3="1.371468"
                              z3="-0.099159"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414241"
                              y3="0.493562"
                              z3="-0.216576"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707519"
                              y3="-2.468459"
                              z3="-0.16607"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083459"
                              y3="1.727013"
                              z3="0.121286"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546677"
                              y3="2.441049"
                              z3="-0.077841"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.43046"
                              y3="0.859597"
                              z3="-0.29034"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345814"
                              y3="1.202539"
                              z3="0.213014"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524874"
                              y3="-0.189982"
                              z3="0.182754"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061087"
                              y3="2.801685"
                              z3="0.143148"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208749"
                              y3="1.844534"
                              z3="0.306099"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457578"
                              y3="-0.968708"
                              z3="0.05917"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59587"
                              y3="-2.005534"
                              z3="0.024088"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012236"
                              y3="-1.580269"
                              z3="-0.333228"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858214"
                              y3="-0.876295"
                              z3="0.302738"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880699"
                              y3="-1.690461"
                              z3="-0.425704"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88404"
                              y3="-1.358189"
                              z3="1.285927"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069733"
                              y3="0.033014"
                              z3="0.13135"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981538"
                              y3="-0.562154"
                              z3="0.173942"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131128"
                              y3="0.780922"
                              z3="0.923425"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051412"
                              y3="0.547395"
                              z3="-0.831237"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73644"
                              y3="-3.646342"
                              z3="-0.011361"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098115"
                              y3="-4.137176"
                              z3="0.744283"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800212"
                              y3="-4.212731"
                              z3="-0.797561"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.8362"
                              y3="-5.173954"
                              z3="-2.353121"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.097716"
                              y3="-5.697833"
                              z3="-2.671549"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.61026"
                              y3="-5.506227"
                              z3="-2.812884"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.705878"
                              y3="-4.825831"
                              z3="2.334409"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.084743"
                              y3="-5.158535"
                              z3="2.986671"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.502048"
                              y3="-5.3510"
                              z3="2.443429"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173578"
                              y3="-0.900707"
                              z3="-0.243139"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903663"
                              y3="-1.403631"
                              z3="-0.152754"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828356"
                              y3="-0.502109"
                              z3="-0.031893"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046371"
                              y3="0.88746"
                              z3="-0.002636"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374562"
                              y3="1.371296"
                              z3="-0.099873"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414117"
                              y3="0.493315"
                              z3="-0.217804"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707166"
                              y3="-2.468562"
                              z3="-0.166997"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083351"
                              y3="1.727021"
                              z3="0.121576"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546776"
                              y3="2.440859"
                              z3="-0.078474"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430338"
                              y3="0.859273"
                              z3="-0.291907"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345711"
                              y3="1.202639"
                              z3="0.213728"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524906"
                              y3="-0.189865"
                              z3="0.183332"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061293"
                              y3="2.801679"
                              z3="0.143533"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208556"
                              y3="1.844692"
                              z3="0.307241"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45772"
                              y3="-0.968658"
                              z3="0.059216"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596141"
                              y3="-2.005458"
                              z3="0.023995"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01189"
                              y3="-1.580552"
                              z3="-0.334931"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858258"
                              y3="-0.876081"
                              z3="0.303715"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881049"
                              y3="-1.690191"
                              z3="-0.424778"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883794"
                              y3="-1.358063"
                              z3="1.28687"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069761"
                              y3="0.033338"
                              z3="0.132803"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981598"
                              y3="-0.561758"
                              z3="0.175704"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130814"
                              y3="0.781223"
                              z3="0.924924"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051746"
                              y3="0.547749"
                              z3="-0.829774"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737636"
                              y3="-3.646154"
                              z3="-0.011658"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.099919"
                              y3="-4.136938"
                              z3="0.743724"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800106"
                              y3="-4.212816"
                              z3="-0.797766"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.832373"
                              y3="-5.174998"
                              z3="-2.352797"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.092636"
                              y3="-5.697806"
                              z3="-2.670071"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.605259"
                              y3="-5.508474"
                              z3="-2.813667"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709014"
                              y3="-4.825088"
                              z3="2.333606"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.088355"
                              y3="-5.156896"
                              z3="2.986779"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.504706"
                              y3="-5.351172"
                              z3="2.441702"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17367"
                              y3="-0.900617"
                              z3="-0.242635"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903753"
                              y3="-1.40358"
                              z3="-0.152487"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828402"
                              y3="-0.502089"
                              z3="-0.031774"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046374"
                              y3="0.887486"
                              z3="-0.002433"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37457"
                              y3="1.37136"
                              z3="-0.099421"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414169"
                              y3="0.493411"
                              z3="-0.217203"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707282"
                              y3="-2.468515"
                              z3="-0.166815"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083392"
                              y3="1.727013"
                              z3="0.121604"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546751"
                              y3="2.440927"
                              z3="-0.077956"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430395"
                              y3="0.859397"
                              z3="-0.291115"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345756"
                              y3="1.202596"
                              z3="0.213512"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524907"
                              y3="-0.189911"
                              z3="0.183049"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.06122"
                              y3="2.801674"
                              z3="0.143619"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208635"
                              y3="1.844624"
                              z3="0.30689"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457679"
                              y3="-0.968674"
                              z3="0.059102"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59605"
                              y3="-2.005482"
                              z3="0.023871"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012017"
                              y3="-1.580437"
                              z3="-0.334315"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85826"
                              y3="-0.876169"
                              z3="0.303195"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880921"
                              y3="-1.690243"
                              z3="-0.425343"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88393"
                              y3="-1.358193"
                              z3="1.286324"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069764"
                              y3="0.033225"
                              z3="0.132144"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981592"
                              y3="-0.561896"
                              z3="0.174879"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130954"
                              y3="0.781068"
                              z3="0.924297"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051618"
                              y3="0.547686"
                              z3="-0.830403"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737134"
                              y3="-3.646231"
                              z3="-0.011664"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.099105"
                              y3="-4.136985"
                              z3="0.743886"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800282"
                              y3="-4.212804"
                              z3="-0.797781"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.834111"
                              y3="-5.174786"
                              z3="-2.352901"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.094865"
                              y3="-5.698056"
                              z3="-2.670561"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.607445"
                              y3="-5.507793"
                              z3="-2.813354"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.707557"
                              y3="-4.825195"
                              z3="2.333986"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.086655"
                              y3="-5.157102"
                              z3="2.986877"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.503293"
                              y3="-5.351138"
                              z3="2.442456"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173916"
                              y3="-0.900378"
                              z3="-0.24155"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904007"
                              y3="-1.403454"
                              z3="-0.151917"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828542"
                              y3="-0.502057"
                              z3="-0.031498"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046394"
                              y3="0.887535"
                              z3="-0.001938"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374589"
                              y3="1.371524"
                              z3="-0.098381"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414298"
                              y3="0.493667"
                              z3="-0.215875"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707615"
                              y3="-2.468401"
                              z3="-0.166461"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083483"
                              y3="1.726963"
                              z3="0.121746"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546677"
                              y3="2.441103"
                              z3="-0.076747"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430523"
                              y3="0.85974"
                              z3="-0.289384"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345846"
                              y3="1.202442"
                              z3="0.213102"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524874"
                              y3="-0.190074"
                              z3="0.182439"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.06104"
                              y3="2.801633"
                              z3="0.143932"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.20881"
                              y3="1.844398"
                              z3="0.306205"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457541"
                              y3="-0.968748"
                              z3="0.058848"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595787"
                              y3="-2.005577"
                              z3="0.023567"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012348"
                              y3="-1.580122"
                              z3="-0.333018"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858222"
                              y3="-0.876447"
                              z3="0.302006"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.88057"
                              y3="-1.690403"
                              z3="-0.426674"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.884207"
                              y3="-1.358623"
                              z3="1.285051"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069734"
                              y3="0.032884"
                              z3="0.130664"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981535"
                              y3="-0.56231"
                              z3="0.172988"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.131254"
                              y3="0.780601"
                              z3="0.922909"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051287"
                              y3="0.547492"
                              z3="-0.8318"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736023"
                              y3="-3.646422"
                              z3="-0.01172"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.097349"
                              y3="-4.137052"
                              z3="0.744222"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800822"
                              y3="-4.212774"
                              z3="-0.797863"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.838059"
                              y3="-5.174376"
                              z3="-2.353124"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.099904"
                              y3="-5.698666"
                              z3="-2.671644"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.612368"
                              y3="-5.506224"
                              z3="-2.812771"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.704429"
                              y3="-4.825178"
                              z3="2.33488"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.08295"
                              y3="-5.157221"
                              z3="2.98715"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.500193"
                              y3="-5.350906"
                              z3="2.444185"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17368"
                              y3="-0.900604"
                              z3="-0.242671"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903768"
                              y3="-1.403574"
                              z3="-0.152499"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828412"
                              y3="-0.502088"
                              z3="-0.031785"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046376"
                              y3="0.887489"
                              z3="-0.002466"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374568"
                              y3="1.37137"
                              z3="-0.099479"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41417"
                              y3="0.493426"
                              z3="-0.217263"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707304"
                              y3="-2.468509"
                              z3="-0.166807"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083393"
                              y3="1.727011"
                              z3="0.121574"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546743"
                              y3="2.440939"
                              z3="-0.07803"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430393"
                              y3="0.859418"
                              z3="-0.291194"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345754"
                              y3="1.202587"
                              z3="0.213503"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524896"
                              y3="-0.189922"
                              z3="0.183058"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061212"
                              y3="2.801673"
                              z3="0.143574"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208635"
                              y3="1.844611"
                              z3="0.306883"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457664"
                              y3="-0.96868"
                              z3="0.059111"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596031"
                              y3="-2.005489"
                              z3="0.023894"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012029"
                              y3="-1.580419"
                              z3="-0.334352"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858243"
                              y3="-0.876188"
                              z3="0.303219"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880922"
                              y3="-1.690235"
                              z3="-0.425349"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883884"
                              y3="-1.35825"
                              z3="1.286331"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069755"
                              y3="0.033209"
                              z3="0.132238"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.98158"
                              y3="-0.561917"
                              z3="0.174986"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130918"
                              y3="0.781028"
                              z3="0.924414"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051644"
                              y3="0.547698"
                              z3="-0.830296"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737139"
                              y3="-3.646233"
                              z3="-0.011633"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.099171"
                              y3="-4.136989"
                              z3="0.743886"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800178"
                              y3="-4.212818"
                              z3="-0.797751"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.833942"
                              y3="-5.174721"
                              z3="-2.352919"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.094733"
                              y3="-5.69809"
                              z3="-2.670503"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.607297"
                              y3="-5.507736"
                              z3="-2.813332"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.707729"
                              y3="-4.825207"
                              z3="2.333938"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.086891"
                              y3="-5.157206"
                              z3="2.986844"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.503554"
                              y3="-5.351015"
                              z3="2.442405"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.17369"
                              y3="-0.900599"
                              z3="-0.242536"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903773"
                              y3="-1.403572"
                              z3="-0.152453"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828411"
                              y3="-0.50209"
                              z3="-0.031765"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046373"
                              y3="0.887486"
                              z3="-0.002391"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374571"
                              y3="1.371371"
                              z3="-0.09931"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.41418"
                              y3="0.49343"
                              z3="-0.217064"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707308"
                              y3="-2.468507"
                              z3="-0.166814"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083403"
                              y3="1.727004"
                              z3="0.121609"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546744"
                              y3="2.440939"
                              z3="-0.077815"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430407"
                              y3="0.859424"
                              z3="-0.290922"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345769"
                              y3="1.202578"
                              z3="0.213451"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524909"
                              y3="-0.189929"
                              z3="0.182962"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061202"
                              y3="2.801665"
                              z3="0.143649"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208655"
                              y3="1.8446"
                              z3="0.306798"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45767"
                              y3="-0.968684"
                              z3="0.059051"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596029"
                              y3="-2.005494"
                              z3="0.023819"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012044"
                              y3="-1.580412"
                              z3="-0.334196"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858261"
                              y3="-0.8762"
                              z3="0.303047"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880912"
                              y3="-1.690226"
                              z3="-0.425544"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883939"
                              y3="-1.358288"
                              z3="1.286145"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069768"
                              y3="0.033199"
                              z3="0.132044"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981594"
                              y3="-0.561928"
                              z3="0.174749"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130958"
                              y3="0.781002"
                              z3="0.924234"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051625"
                              y3="0.547709"
                              z3="-0.830478"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737001"
                              y3="-3.646257"
                              z3="-0.011665"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098919"
                              y3="-4.13699"
                              z3="0.743924"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800301"
                              y3="-4.212814"
                              z3="-0.797781"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.834463"
                              y3="-5.174719"
                              z3="-2.352938"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.095338"
                              y3="-5.698164"
                              z3="-2.670592"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.607887"
                              y3="-5.507612"
                              z3="-2.813323"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.70726"
                              y3="-4.825179"
                              z3="2.334077"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.086328"
                              y3="-5.157091"
                              z3="2.986936"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.503013"
                              y3="-5.351081"
                              z3="2.442623"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.177299"
                              y3="-0.897359"
                              z3="-0.228674"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.907578"
                              y3="-1.40207"
                              z3="-0.145459"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.830575"
                              y3="-0.502023"
                              z3="-0.02842"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046727"
                              y3="0.887795"
                              z3="0.004243"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374817"
                              y3="1.373431"
                              z3="-0.085458"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.416014"
                              y3="0.496918"
                              z3="-0.199717"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.712361"
                              y3="-2.467196"
                              z3="-0.16295"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.08462"
                              y3="1.725785"
                              z3="0.123884"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.545583"
                              y3="2.443171"
                              z3="-0.061527"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.432149"
                              y3="0.864239"
                              z3="-0.268291"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346886"
                              y3="1.199767"
                              z3="0.20837"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524214"
                              y3="-0.192859"
                              z3="0.17472"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.05862"
                              y3="2.800579"
                              z3="0.148407"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.210971"
                              y3="1.840674"
                              z3="0.298349"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.455449"
                              y3="-0.970233"
                              z3="0.055203"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.592058"
                              y3="-2.00734"
                              z3="0.01883"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.016889"
                              y3="-1.576004"
                              z3="-0.317727"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.857387"
                              y3="-0.880911"
                              z3="0.28653"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.876519"
                              y3="-1.69133"
                              z3="-0.446194"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.886429"
                              y3="-1.36779"
                              z3="1.267125"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069147"
                              y3="0.028085"
                              z3="0.115054"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.980607"
                              y3="-0.567956"
                              z3="0.152418"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.133535"
                              y3="0.77272"
                              z3="0.909977"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.048304"
                              y3="0.54637"
                              z3="-0.845371"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.721819"
                              y3="-3.649293"
                              z3="-0.013601"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.076483"
                              y3="-4.137238"
                              z3="0.747291"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.809912"
                              y3="-4.21237"
                              z3="-0.799859"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.886304"
                              y3="-5.171924"
                              z3="-2.354821"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.159909"
                              y3="-5.706952"
                              z3="-2.68245"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.670076"
                              y3="-5.487404"
                              z3="-2.809895"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.670419"
                              y3="-4.819853"
                              z3="2.345492"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.041938"
                              y3="-5.144757"
                              z3="2.994624"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.460925"
                              y3="-5.352104"
                              z3="2.461426"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174179"
                              y3="-0.899999"
                              z3="-0.242421"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904339"
                              y3="-1.403292"
                              z3="-0.153075"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828768"
                              y3="-0.502093"
                              z3="-0.032145"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04645"
                              y3="0.887511"
                              z3="-0.001743"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374588"
                              y3="1.371723"
                              z3="-0.097887"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414389"
                              y3="0.494067"
                              z3="-0.215925"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.708082"
                              y3="-2.468259"
                              z3="-0.168218"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083526"
                              y3="1.726718"
                              z3="0.122431"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546548"
                              y3="2.441311"
                              z3="-0.075619"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430562"
                              y3="0.860312"
                              z3="-0.289238"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345838"
                              y3="1.201985"
                              z3="0.213418"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524702"
                              y3="-0.190523"
                              z3="0.181857"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060866"
                              y3="2.801392"
                              z3="0.145288"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208877"
                              y3="1.843778"
                              z3="0.306913"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457256"
                              y3="-0.968989"
                              z3="0.057857"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595404"
                              y3="-2.005828"
                              z3="0.022127"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.01269"
                              y3="-1.579577"
                              z3="-0.334309"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.8580"
                              y3="-0.877162"
                              z3="0.300659"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881031"
                              y3="-1.688976"
                              z3="-0.430409"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.883193"
                              y3="-1.362257"
                              z3="1.282287"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069586"
                              y3="0.032704"
                              z3="0.132925"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981405"
                              y3="-0.562493"
                              z3="0.174868"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130044"
                              y3="0.778511"
                              z3="0.927041"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.052238"
                              y3="0.549634"
                              z3="-0.828307"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.735783"
                              y3="-3.64661"
                              z3="-0.012513"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.098033"
                              y3="-4.136325"
                              z3="0.743576"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.801215"
                              y3="-4.213246"
                              z3="-0.798411"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.83665"
                              y3="-5.176746"
                              z3="-2.352505"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.098346"
                              y3="-5.702069"
                              z3="-2.668972"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.610211"
                              y3="-5.507512"
                              z3="-2.814193"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.707029"
                              y3="-4.822067"
                              z3="2.33456"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.086168"
                              y3="-5.152267"
                              z3="2.988343"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.502226"
                              y3="-5.348787"
                              z3="2.44327"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173728"
                              y3="-0.900546"
                              z3="-0.243274"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903832"
                              y3="-1.403593"
                              z3="-0.153358"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.82844"
                              y3="-0.502185"
                              z3="-0.032365"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046363"
                              y3="0.887389"
                              z3="-0.002506"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374549"
                              y3="1.371349"
                              z3="-0.099243"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414178"
                              y3="0.493483"
                              z3="-0.217311"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707402"
                              y3="-2.468529"
                              z3="-0.168083"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083432"
                              y3="1.726823"
                              z3="0.121781"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546692"
                              y3="2.440913"
                              z3="-0.07737"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430393"
                              y3="0.859533"
                              z3="-0.291043"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345793"
                              y3="1.202329"
                              z3="0.213416"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.52489"
                              y3="-0.190161"
                              z3="0.182423"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061141"
                              y3="2.80148"
                              z3="0.14421"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208692"
                              y3="1.844296"
                              z3="0.306996"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457619"
                              y3="-0.968843"
                              z3="0.058273"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595967"
                              y3="-2.005656"
                              z3="0.022815"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.0121"
                              y3="-1.580298"
                              z3="-0.335187"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858219"
                              y3="-0.876581"
                              z3="0.302053"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881669"
                              y3="-1.68864"
                              z3="-0.42872"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882988"
                              y3="-1.361354"
                              z3="1.283843"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069799"
                              y3="0.033351"
                              z3="0.134616"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981658"
                              y3="-0.561729"
                              z3="0.177307"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.12976"
                              y3="0.779503"
                              z3="0.928463"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.052921"
                              y3="0.549877"
                              z3="-0.826852"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736973"
                              y3="-3.646393"
                              z3="-0.012217"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.09975"
                              y3="-4.136486"
                              z3="0.743371"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800464"
                              y3="-4.213161"
                              z3="-0.798168"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.832095"
                              y3="-5.176462"
                              z3="-2.352493"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.092529"
                              y3="-5.700735"
                              z3="-2.667739"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.604441"
                              y3="-5.508611"
                              z3="-2.815217"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.709862"
                              y3="-4.822766"
                              z3="2.333774"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089513"
                              y3="-5.153381"
                              z3="2.987845"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.505082"
                              y3="-5.349647"
                              z3="2.441488"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.174692"
                              y3="-0.899583"
                              z3="-0.240436"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904885"
                              y3="-1.403125"
                              z3="-0.152035"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.829066"
                              y3="-0.502137"
                              z3="-0.031699"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046483"
                              y3="0.887504"
                              z3="-0.000971"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.3746"
                              y3="1.371968"
                              z3="-0.09612"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414642"
                              y3="0.494516"
                              z3="-0.21356"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.708817"
                              y3="-2.468118"
                              z3="-0.167545"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083716"
                              y3="1.7265"
                              z3="0.122513"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546348"
                              y3="2.441581"
                              z3="-0.073589"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430802"
                              y3="0.860949"
                              z3="-0.286122"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.346007"
                              y3="1.201548"
                              z3="0.212525"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524598"
                              y3="-0.190979"
                              z3="0.180682"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.060479"
                              y3="2.801193"
                              z3="0.145622"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.209216"
                              y3="1.843187"
                              z3="0.305495"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.456942"
                              y3="-0.96926"
                              z3="0.057362"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.594833"
                              y3="-2.006149"
                              z3="0.021572"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.013382"
                              y3="-1.579001"
                              z3="-0.331879"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.85784"
                              y3="-0.877893"
                              z3="0.298491"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.880441"
                              y3="-1.689202"
                              z3="-0.433149"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.88334"
                              y3="-1.363658"
                              z3="1.279764"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069532"
                              y3="0.031855"
                              z3="0.130866"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981266"
                              y3="-0.563513"
                              z3="0.172178"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.130381"
                              y3="0.777222"
                              z3="0.925384"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.051957"
                              y3="0.54932"
                              z3="-0.830082"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.733115"
                              y3="-3.64718"
                              z3="-0.012629"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.094716"
                              y3="-4.136418"
                              z3="0.744089"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.802092"
                              y3="-4.213259"
                              z3="-0.798627"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.84373"
                              y3="-5.176151"
                              z3="-2.352947"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.107122"
                              y3="-5.702876"
                              z3="-2.671016"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.618667"
                              y3="-5.504406"
                              z3="-2.81411"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.70239"
                              y3="-4.820964"
                              z3="2.336215"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.080707"
                              y3="-5.150324"
                              z3="2.989653"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.496888"
                              y3="-5.34858"
                              z3="2.445635"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173907"
                              y3="-0.90031"
                              z3="-0.243393"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.904038"
                              y3="-1.403469"
                              z3="-0.153728"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828573"
                              y3="-0.502167"
                              z3="-0.032588"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046395"
                              y3="0.887416"
                              z3="-0.002331"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374559"
                              y3="1.371494"
                              z3="-0.098817"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414258"
                              y3="0.493732"
                              z3="-0.217031"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707685"
                              y3="-2.468417"
                              z3="-0.168741"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.08347"
                              y3="1.726734"
                              z3="0.122095"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546626"
                              y3="2.441065"
                              z3="-0.076636"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430455"
                              y3="0.859871"
                              z3="-0.290572"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345804"
                              y3="1.202122"
                              z3="0.213485"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.5248"
                              y3="-0.190371"
                              z3="0.182084"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061024"
                              y3="2.801395"
                              z3="0.144843"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208755"
                              y3="1.844004"
                              z3="0.307189"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457461"
                              y3="-0.968941"
                              z3="0.057805"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595709"
                              y3="-2.005764"
                              z3="0.022178"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012336"
                              y3="-1.579978"
                              z3="-0.335416"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858088"
                              y3="-0.876929"
                              z3="0.301413"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881637"
                              y3="-1.68843"
                              z3="-0.429986"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882671"
                              y3="-1.362459"
                              z3="1.282837"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069727"
                              y3="0.033084"
                              z3="0.134878"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981559"
                              y3="-0.562058"
                              z3="0.177245"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129572"
                              y3="0.7786"
                              z3="0.929324"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.053029"
                              y3="0.550366"
                              z3="-0.826178"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736396"
                              y3="-3.646515"
                              z3="-0.01239"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.099441"
                              y3="-4.136238"
                              z3="0.74331"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.800292"
                              y3="-4.213402"
                              z3="-0.798225"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.832643"
                              y3="-5.17697"
                              z3="-2.352351"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.093415"
                              y3="-5.701803"
                              z3="-2.667462"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.605194"
                              y3="-5.508703"
                              z3="-2.815033"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.710108"
                              y3="-4.821826"
                              z3="2.333794"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.089957"
                              y3="-5.152042"
                              z3="2.988255"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.505428"
                              y3="-5.348523"
                              z3="2.441672"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173622"
                              y3="-0.900605"
                              z3="-0.244296"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903729"
                              y3="-1.403621"
                              z3="-0.154191"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828385"
                              y3="-0.502199"
                              z3="-0.032854"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046354"
                              y3="0.887366"
                              z3="-0.002853"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374538"
                              y3="1.371298"
                              z3="-0.099808"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414117"
                              y3="0.493416"
                              z3="-0.218201"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707273"
                              y3="-2.468552"
                              z3="-0.168971"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083391"
                              y3="1.72681"
                              z3="0.121816"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546718"
                              y3="2.440854"
                              z3="-0.077819"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430331"
                              y3="0.859443"
                              z3="-0.292076"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345745"
                              y3="1.202333"
                              z3="0.2137"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524885"
                              y3="-0.190147"
                              z3="0.182557"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061211"
                              y3="2.801461"
                              z3="0.144356"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208604"
                              y3="1.84431"
                              z3="0.307588"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457659"
                              y3="-0.968835"
                              z3="0.058017"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596046"
                              y3="-2.005639"
                              z3="0.022485"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011959"
                              y3="-1.580371"
                              z3="-0.336449"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858186"
                              y3="-0.876576"
                              z3="0.302445"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882073"
                              y3="-1.688141"
                              z3="-0.428868"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882427"
                              y3="-1.362026"
                              z3="1.283915"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069819"
                              y3="0.033521"
                              z3="0.136308"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981679"
                              y3="-0.561545"
                              z3="0.179114"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129284"
                              y3="0.779136"
                              z3="0.930697"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.053475"
                              y3="0.550691"
                              z3="-0.82482"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737497"
                              y3="-3.646303"
                              z3="-0.012289"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.101025"
                              y3="-4.136233"
                              z3="0.74304"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.799668"
                              y3="-4.213417"
                              z3="-0.798094"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.828835"
                              y3="-5.177093"
                              z3="-2.352217"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.088712"
                              y3="-5.701281"
                              z3="-2.666299"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.600549"
                              y3="-5.509967"
                              z3="-2.815475"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.712683"
                              y3="-4.82216"
                              z3="2.333013"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.093058"
                              y3="-5.152729"
                              z3="2.987795"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.508236"
                              y3="-5.348631"
                              z3="2.440264"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173851"
                              y3="-0.900393"
                              z3="-0.243475"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903973"
                              y3="-1.403519"
                              z3="-0.153758"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828528"
                              y3="-0.502189"
                              z3="-0.032629"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046381"
                              y3="0.887392"
                              z3="-0.002446"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374554"
                              y3="1.371436"
                              z3="-0.098993"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414233"
                              y3="0.493645"
                              z3="-0.217185"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707597"
                              y3="-2.468462"
                              z3="-0.168712"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083461"
                              y3="1.72674"
                              z3="0.121974"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546644"
                              y3="2.441004"
                              z3="-0.076867"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430438"
                              y3="0.859757"
                              z3="-0.29076"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345804"
                              y3="1.202161"
                              z3="0.213444"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524828"
                              y3="-0.19033"
                              z3="0.182129"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061055"
                              y3="2.8014"
                              z3="0.144655"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208738"
                              y3="1.844066"
                              z3="0.307142"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.45751"
                              y3="-0.968929"
                              z3="0.057838"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.595782"
                              y3="-2.005752"
                              z3="0.022251"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.012264"
                              y3="-1.580086"
                              z3="-0.335478"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858115"
                              y3="-0.876866"
                              z3="0.301578"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.881733"
                              y3="-1.688377"
                              z3="-0.429804"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882612"
                              y3="-1.362382"
                              z3="1.283009"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069765"
                              y3="0.033154"
                              z3="0.135143"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981596"
                              y3="-0.56198"
                              z3="0.177616"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129528"
                              y3="0.778694"
                              z3="0.929579"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.05316"
                              y3="0.550411"
                              z3="-0.825933"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.736486"
                              y3="-3.646503"
                              z3="-0.012347"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.099621"
                              y3="-4.13626"
                              z3="0.743287"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.80019"
                              y3="-4.213387"
                              z3="-0.798197"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.832085"
                              y3="-5.176906"
                              z3="-2.352365"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.092682"
                              y3="-5.701598"
                              z3="-2.6673"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.604454"
                              y3="-5.508781"
                              z3="-2.815245"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.710488"
                              y3="-4.821852"
                              z3="2.33372"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.090425"
                              y3="-5.152068"
                              z3="2.988266"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.505757"
                              y3="-5.348667"
                              z3="2.441391"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173653"
                              y3="-0.900571"
                              z3="-0.24426"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903763"
                              y3="-1.403602"
                              z3="-0.15418"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828408"
                              y3="-0.502193"
                              z3="-0.03285"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.04636"
                              y3="0.887374"
                              z3="-0.002825"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.37454"
                              y3="1.371322"
                              z3="-0.099752"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414132"
                              y3="0.493453"
                              z3="-0.218143"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707319"
                              y3="-2.468535"
                              z3="-0.168976"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083397"
                              y3="1.726804"
                              z3="0.121836"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546708"
                              y3="2.440881"
                              z3="-0.077746"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430343"
                              y3="0.859492"
                              z3="-0.292002"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345747"
                              y3="1.202311"
                              z3="0.213686"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524871"
                              y3="-0.190172"
                              z3="0.182515"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061193"
                              y3="2.801457"
                              z3="0.144398"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208616"
                              y3="1.844277"
                              z3="0.307571"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457634"
                              y3="-0.968845"
                              z3="0.057987"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596004"
                              y3="-2.005652"
                              z3="0.02245"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011999"
                              y3="-1.580327"
                              z3="-0.336412"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858168"
                              y3="-0.876618"
                              z3="0.302356"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882044"
                              y3="-1.688143"
                              z3="-0.429003"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882413"
                              y3="-1.362122"
                              z3="1.283799"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069807"
                              y3="0.033479"
                              z3="0.136262"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981664"
                              y3="-0.561595"
                              z3="0.179025"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129282"
                              y3="0.779044"
                              z3="0.930695"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.053459"
                              y3="0.550707"
                              z3="-0.824834"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.737405"
                              y3="-3.646319"
                              z3="-0.012282"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.100935"
                              y3="-4.136219"
                              z3="0.743066"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.79968"
                              y3="-4.213424"
                              z3="-0.798084"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.829045"
                              y3="-5.177085"
                              z3="-2.35221"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.088994"
                              y3="-5.70136"
                              z3="-2.666315"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.600814"
                              y3="-5.509877"
                              z3="-2.815437"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.712605"
                              y3="-4.822126"
                              z3="2.333038"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.092976"
                              y3="-5.152656"
                              z3="2.987835"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.508159"
                              y3="-5.34859"
                              z3="2.440322"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173517"
                              y3="-0.900698"
                              z3="-0.244759"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.903619"
                              y3="-1.403663"
                              z3="-0.154435"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828323"
                              y3="-0.502199"
                              z3="-0.032991"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046343"
                              y3="0.88736"
                              z3="-0.003096"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374529"
                              y3="1.371241"
                              z3="-0.10028"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.414062"
                              y3="0.493317"
                              z3="-0.218782"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.707129"
                              y3="-2.468589"
                              z3="-0.169109"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083356"
                              y3="1.726848"
                              z3="0.121708"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546748"
                              y3="2.440793"
                              z3="-0.078375"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430277"
                              y3="0.859305"
                              z3="-0.292831"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345712"
                              y3="1.202416"
                              z3="0.213821"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524903"
                              y3="-0.190062"
                              z3="0.182771"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061285"
                              y3="2.801496"
                              z3="0.144169"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208536"
                              y3="1.844425"
                              z3="0.307816"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457721"
                              y3="-0.968789"
                              z3="0.058099"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596158"
                              y3="-2.005584"
                              z3="0.022607"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011818"
                              y3="-1.580498"
                              z3="-0.336992"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858208"
                              y3="-0.876445"
                              z3="0.302884"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882262"
                              y3="-1.687976"
                              z3="-0.428461"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882276"
                              y3="-1.361944"
                              z3="1.284334"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069839"
                              y3="0.033704"
                              z3="0.137028"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981713"
                              y3="-0.561328"
                              z3="0.180001"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.129111"
                              y3="0.779294"
                              z3="0.931455"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.053675"
                              y3="0.550905"
                              z3="-0.824086"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.738012"
                              y3="-3.646199"
                              z3="-0.012227"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.101807"
                              y3="-4.136206"
                              z3="0.742921"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.799323"
                              y3="-4.213443"
                              z3="-0.798004"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.827001"
                              y3="-5.177175"
                              z3="-2.352115"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.08652"
                              y3="-5.70117"
                              z3="-2.665674"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.59837"
                              y3="-5.510563"
                              z3="-2.815582"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.714014"
                              y3="-4.822337"
                              z3="2.332584"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.094677"
                              y3="-5.153096"
                              z3="2.987541"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.509758"
                              y3="-5.348569"
                              z3="2.439593"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173343"
                              y3="-0.900853"
                              z3="-0.24553"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90344"
                              y3="-1.403735"
                              z3="-0.154812"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828224"
                              y3="-0.5022"
                              z3="-0.033193"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046328"
                              y3="0.887348"
                              z3="-0.003504"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374514"
                              y3="1.371145"
                              z3="-0.101097"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413969"
                              y3="0.493152"
                              z3="-0.21978"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706895"
                              y3="-2.468653"
                              z3="-0.169291"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083294"
                              y3="1.726909"
                              z3="0.121522"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.546799"
                              y3="2.44069"
                              z3="-0.079352"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430185"
                              y3="0.859077"
                              z3="-0.294141"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345651"
                              y3="1.202553"
                              z3="0.214038"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524928"
                              y3="-0.189919"
                              z3="0.183168"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061409"
                              y3="2.801552"
                              z3="0.143832"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208416"
                              y3="1.844617"
                              z3="0.308206"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457818"
                              y3="-0.968713"
                              z3="0.058284"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.596347"
                              y3="-2.005493"
                              z3="0.022857"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011584"
                              y3="-1.580709"
                              z3="-0.337899"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858238"
                              y3="-0.876223"
                              z3="0.303665"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882555"
                              y3="-1.687729"
                              z3="-0.4277"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.882037"
                              y3="-1.361765"
                              z3="1.285101"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069864"
                              y3="0.034003"
                              z3="0.138209"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981761"
                              y3="-0.560972"
                              z3="0.181482"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.128827"
                              y3="0.779599"
                              z3="0.932654"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.053987"
                              y3="0.5512"
                              z3="-0.822912"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.73895"
                              y3="-3.646017"
                              z3="-0.012133"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.103176"
                              y3="-4.13618"
                              z3="0.742702"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.798766"
                              y3="-4.213477"
                              z3="-0.797868"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.823896"
                              y3="-5.177292"
                              z3="-2.351968"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.082824"
                              y3="-5.700946"
                              z3="-2.664702"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.594707"
                              y3="-5.511538"
                              z3="-2.815747"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.716262"
                              y3="-4.822643"
                              z3="2.331863"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.097384"
                              y3="-5.153709"
                              z3="2.987098"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.512302"
                              y3="-5.348509"
                              z3="2.438473"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="geometry">
                  <molecule id="molecule">
                     <atomArray>
                        <atom elementType="C"
                              id="a1"
                              x3="3.173148"
                              y3="-0.901037"
                              z3="-0.246356"/>
                        <atom elementType="C"
                              id="a2"
                              x3="1.90324"
                              y3="-1.403825"
                              z3="-0.155206"/>
                        <atom elementType="C"
                              id="a3"
                              x3="0.828111"
                              y3="-0.502211"
                              z3="-0.033415"/>
                        <atom elementType="C"
                              id="a4"
                              x3="1.046308"
                              y3="0.887326"
                              z3="-0.003976"/>
                        <atom elementType="C"
                              id="a5"
                              x3="2.374495"
                              y3="1.371029"
                              z3="-0.102021"/>
                        <atom elementType="C"
                              id="a6"
                              x3="3.413864"
                              y3="0.492958"
                              z3="-0.220879"/>
                        <atom elementType="H"
                              id="a7"
                              x3="1.706636"
                              y3="-2.468734"
                              z3="-0.169453"/>
                        <atom elementType="C"
                              id="a8"
                              x3="-0.083229"
                              y3="1.726971"
                              z3="0.121274"/>
                        <atom elementType="H"
                              id="a9"
                              x3="2.54685"
                              y3="2.440566"
                              z3="-0.080473"/>
                        <atom elementType="H"
                              id="a10"
                              x3="4.430079"
                              y3="0.858812"
                              z3="-0.295583"/>
                        <atom elementType="C"
                              id="a11"
                              x3="-1.345588"
                              y3="1.2027"
                              z3="0.21424"/>
                        <atom elementType="C"
                              id="a12"
                              x3="-1.524959"
                              y3="-0.189766"
                              z3="0.183596"/>
                        <atom elementType="H"
                              id="a13"
                              x3="0.061543"
                              y3="2.801608"
                              z3="0.143396"/>
                        <atom elementType="H"
                              id="a14"
                              x3="-2.208287"
                              y3="1.844826"
                              z3="0.308585"/>
                        <atom elementType="N"
                              id="a15"
                              x3="-0.457929"
                              y3="-0.968637"
                              z3="0.058494"/>
                        <atom elementType="H"
                              id="a16"
                              x3="-0.59656"
                              y3="-2.0054"
                              z3="0.023155"/>
                        <atom elementType="H"
                              id="a17"
                              x3="4.011323"
                              y3="-1.580956"
                              z3="-0.338855"/>
                        <atom elementType="C"
                              id="a18"
                              x3="-2.858274"
                              y3="-0.875982"
                              z3="0.304525"/>
                        <atom elementType="H"
                              id="a19"
                              x3="-2.882895"
                              y3="-1.687441"
                              z3="-0.426882"/>
                        <atom elementType="H"
                              id="a20"
                              x3="-2.881761"
                              y3="-1.361597"
                              z3="1.285932"/>
                        <atom elementType="C"
                              id="a21"
                              x3="-4.069895"
                              y3="0.034335"
                              z3="0.139554"/>
                        <atom elementType="H"
                              id="a22"
                              x3="-4.981818"
                              y3="-0.560576"
                              z3="0.183174"/>
                        <atom elementType="H"
                              id="a23"
                              x3="-4.128497"
                              y3="0.77993"
                              z3="0.934028"/>
                        <atom elementType="H"
                              id="a24"
                              x3="-4.054358"
                              y3="0.551536"
                              z3="-0.821571"/>
                        <atom elementType="O"
                              id="a25"
                              x3="-0.739974"
                              y3="-3.645827"
                              z3="-0.012011"/>
                        <atom elementType="H"
                              id="a26"
                              x3="-1.104688"
                              y3="-4.136169"
                              z3="0.742466"/>
                        <atom elementType="H"
                              id="a27"
                              x3="-0.798114"
                              y3="-4.213518"
                              z3="-0.797705"/>
                        <atom elementType="O"
                              id="a28"
                              x3="-0.820434"
                              y3="-5.177369"
                              z3="-2.351823"/>
                        <atom elementType="H"
                              id="a29"
                              x3="-0.078725"
                              y3="-5.700658"
                              z3="-2.663655"/>
                        <atom elementType="H"
                              id="a30"
                              x3="-1.590634"
                              y3="-5.512519"
                              z3="-2.815969"/>
                        <atom elementType="O"
                              id="a31"
                              x3="-1.718768"
                              y3="-4.822974"
                              z3="2.331081"/>
                        <atom elementType="H"
                              id="a32"
                              x3="-1.100397"
                              y3="-5.154356"
                              z3="2.986633"/>
                        <atom elementType="H"
                              id="a33"
                              x3="-2.51511"
                              y3="-5.348475"
                              z3="2.437226"/>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a6" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a17" order="S"/>
                        <bond atomRefs2="a2 a3" order="S"/>
                        <bond atomRefs2="a2 a7" order="S"/>
                        <bond atomRefs2="a3 a4" order="S"/>
                        <bond atomRefs2="a3 a15" order="S"/>
                        <bond atomRefs2="a4 a5" order="S"/>
                        <bond atomRefs2="a4 a8" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a9" order="S"/>
                        <bond atomRefs2="a6 a10" order="S"/>
                        <bond atomRefs2="a8 a11" order="S"/>
                        <bond atomRefs2="a8 a13" order="S"/>
                        <bond atomRefs2="a11 a12" order="S"/>
                        <bond atomRefs2="a11 a14" order="S"/>
                        <bond atomRefs2="a12 a18" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a25 a27" order="S"/>
                        <bond atomRefs2="a25 a26" order="S"/>
                        <bond atomRefs2="a28 a29" order="S"/>
                        <bond atomRefs2="a28 a30" order="S"/>
                        <bond atomRefs2="a31 a32" order="S"/>
                        <bond atomRefs2="a31 a33" order="S"/>
                     </bondArray>
                     <formula concise="C11H18NO3">
                        <atomArray count="11 18 1 3" elementType="C H N O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">194.1226</scalar>
                     </property>
                     <formula convention="iupac:inchi"
                              inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                        <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
                     </formula>
                  </molecule>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.840074438877</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.843572953914</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.843159733449</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.843584187230</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.843907673017</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844160931062</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844249434855</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844327420721</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844451326624</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844509836841</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844676019039</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844719054999</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844760887296</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844603890074</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844655539275</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844647917126</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844771457159</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844777602520</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844795922303</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844778778872</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844779146384</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844796919106</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844802057068</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844798067237</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844803193955</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844810064776</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844815904247</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844819358499</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844822045716</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844825721194</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844831065308</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844838567706</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844842512228</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844843900684</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844847578888</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844845759455</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844849375826</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844851042947</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844850857668</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844852063121</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844853099883</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844854047364</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844858026112</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844864004790</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844865727055</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844871111041</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844873236327</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844873821929</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844874594262</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844874474671</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844874300696</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844873965340</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844873918084</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844874363729</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844874959534</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844875454967</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844875767580</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844875841365</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844876326717</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844876472194</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844876542229</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844876665016</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844878164229</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844878410504</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844878682260</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844879857697</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844880446365</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844880902238</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844881227872</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844881290342</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844881343697</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844881556984</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844881923710</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844883066734</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844883310023</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844884035483</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844886151258</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844889363413</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844894205876</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844901079687</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844909323487</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915151464</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844916242832</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844916182530</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844916112791</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844916365094</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844916390260</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844916113909</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915792887</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915638725</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915093196</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914824335</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915138166</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914906223</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914824933</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915428193</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915384456</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915228275</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915380110</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915419549</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915627109</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915347482</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915093623</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915318535</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915288474</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915043593</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915190898</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915285825</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915288505</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915344016</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914307512</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844909668557</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913411454</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914226265</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913876787</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913860946</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913660418</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913677430</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913675708</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913683510</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913730236</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913752919</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913801250</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913664825</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913602100</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913435662</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913440946</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913333864</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913381371</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913323348</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913340530</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913367081</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913477078</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913491070</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913088681</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913365131</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913317669</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913509755</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913616535</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913484533</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913551795</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913704484</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913575868</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844913599073</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914679526</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914866045</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914762514</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915331900</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915054916</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914944953</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844915068122</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914977163</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914916377</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914830530</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914740199</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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="33">0.035626 0.015829 -0.063167 -0.059340 0.038125 0.019358 0.025666 0.093317 0.033522 0.032099 0.012039 -0.042730 0.045412 0.034188 0.465036 -0.098238 0.033812 -0.012644 0.038880 0.040154 0.023274 0.023032 0.017315 0.016873 0.395615 -0.157946 -0.207839 0.358947 -0.111009 -0.112109 0.301520 -0.117545 -0.117071</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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="33">6.0403 6.1982 5.8581 6.0166 6.0885 6.1284 0.8712 6.0470 0.8549 0.8452 6.1099 5.8693 0.8468 0.8501 7.0376 0.7958 0.8458 6.0932 0.8930 0.8890 6.2770 0.8863 0.8997 0.9009 8.4677 0.7494 0.7509 8.4213 0.7540 0.7550 8.4480 0.7559 0.7553</array>
                     <array dataType="xsd:double" dictRef="o:za" size="33">6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 6.0000 1.0000 1.0000 6.0000 6.0000 1.0000 1.0000 7.0000 1.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="33">-0.0403 -0.1982 0.1419 -0.0166 -0.0885 -0.1284 0.1288 -0.0470 0.1451 0.1548 -0.1099 0.1307 0.1532 0.1499 -0.0376 0.2042 0.1542 -0.0932 0.1070 0.1110 -0.2770 0.1137 0.1003 0.0991 -0.4677 0.2506 0.2491 -0.4213 0.2460 0.2450 -0.4480 0.2441 0.2447</array>
                     <array dataType="xsd:double" dictRef="o:va" size="33">3.9824 4.0029 3.9273 3.8679 3.9653 4.0439 1.0702 3.9856 1.0022 0.9957 3.8889 3.8806 0.9966 0.9998 3.4279 1.0900 0.9943 3.8934 1.0049 1.0043 3.9441 1.0037 0.9973 0.9971 2.0297 1.0412 1.0631 2.0799 1.0084 1.0094 2.0493 1.0100 1.0095</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="33">3.9824 4.0029 3.9273 3.8679 3.9653 4.0439 1.0702 3.9856 1.0022 0.9957 3.8889 3.8806 0.9966 0.9998 3.4279 1.0900 0.9943 3.8934 1.0049 1.0043 3.9441 1.0037 0.9973 0.9971 2.0297 1.0412 1.0631 2.0799 1.0084 1.0094 2.0493 1.0100 1.0095</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="33">1.5991 1.3147 0.9494 1.3154 0.9199 1.2895 1.1843 1.2545 1.2205 1.6288 0.9398 0.9515 1.5591 0.9432 1.3025 0.9673 1.3939 0.9899 0.8332 0.2245 0.9745 0.9749 0.9414 0.9864 0.9915 0.9914 0.9360 0.9048 0.1278 0.9866 0.9855 0.9890 0.9883</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="33">0 1 0 5 0 16 1 2 1 6 2 3 2 14 3 4 3 7 4 5 4 8 5 9 7 10 7 12 10 11 10 13 11 14 11 17 14 15 15 24 17 18 17 19 17 20 20 21 20 22 20 23 24 25 24 26 26 27 27 28 27 29 30 31 30 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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="33">-0.040312 -0.198182 0.141886 -0.016649 -0.088471 -0.128424 0.128815 -0.046951 0.145071 0.154813 -0.109863 0.130748 0.153200 0.149919 -0.037579 0.204151 0.154180 -0.093162 0.107020 0.111027 -0.276993 0.113663 0.100313 0.099121 -0.467661 0.250600 0.249108 -0.421254 0.246002 0.245040 -0.447987 0.244093 0.244717</array>
                  </module>
               </module>
               <module cmlx:templateRef="irspectrum">
                  <array dataType="xsd:integer" dictRef="cc:serial" size="89">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="89">11.76 29.12 32.65 52.82 57.49 104.42 109.65 177.45 180.64 212.84 237.05 250.53 251.56 290.56 303.34 314.96 324.93 333.95 392.40 411.11 431.89 499.75 530.05 540.29 544.32 571.92 636.58 652.50 662.23 704.32 768.90 798.79 814.59 825.07 883.02 897.08 926.63 985.44 1019.02 1025.09 1032.55 1054.83 1058.84 1064.96 1109.52 1126.29 1164.05 1177.70 1197.96 1241.55 1262.21 1312.58 1315.14 1342.98 1370.62 1406.97 1428.67 1437.99 1459.22 1471.24 1512.91 1515.10 1524.85 1548.32 1596.15 1605.21 1616.44 1630.36 1683.81 1688.80 1723.72 3060.65 3076.45 3097.81 3151.71 3162.99 3211.92 3213.12 3217.66 3227.25 3237.89 3264.65 3370.40 3783.12 3841.78 3846.43 3868.99 3962.99 3964.38</array>
                  <array dataType="xsd:double" dictRef="o:t2" size="89">0.004047 0.000410 0.000111 0.001216 0.002273 0.003577 0.001084 0.000094 0.001223 0.002997 0.006327 0.002410 0.001191 0.001015 0.000126 0.002035 0.000834 0.000596 0.001450 0.000205 0.004255 0.004708 0.000137 0.000495 0.000960 0.016326 0.001003 0.006320 0.000166 0.000051 0.000260 0.002449 0.000230 0.000021 0.003135 0.000109 0.000246 0.000212 0.001677 0.000333 0.001250 0.000174 0.000124 0.000085 0.000109 0.000168 0.001571 0.000396 0.000042 0.000313 0.001299 0.000141 0.000000 0.000512 0.000164 0.001487 0.002218 0.000175 0.000829 0.000308 0.000462 0.000387 0.000001 0.000280 0.004104 0.003016 0.001536 0.001038 0.001228 0.002422 0.005050 0.000116 0.000188 0.000014 0.000247 0.000203 0.000005 0.000009 0.000033 0.000006 0.000035 0.000014 0.031328 0.007960 0.002443 0.000577 0.009025 0.001484 0.001811</array>
                  <matrix cols="3"
                          dataType="xsd:double"
                          dictRef="cc:displacement"
                          rows="89">0.062139 0.008081 0.010993 -0.005842 0.004729 -0.018795 -0.007401 0.005427 0.005183 0.013904 0.031443 0.005848 -0.043766 0.018849 0.001558 0.004265 0.043319 -0.041013 -0.000356 -0.000471 -0.032925 -0.000455 0.006124 0.007491 -0.002574 0.006750 0.034218 -0.051971 0.016955 0.002833 0.018158 0.050984 0.058288 0.033516 0.014170 -0.032952 -0.026229 -0.019421 0.011240 0.021709 0.022544 -0.005998 0.003675 -0.002495 -0.010300 -0.031766 0.025180 -0.019795 -0.003218 0.023000 -0.017152 -0.002707 0.017663 -0.016644 0.007367 0.024170 0.028490 0.004484 0.013529 0.001489 0.013939 0.035147 0.053150 -0.007441 -0.014327 -0.066687 0.002141 0.002131 0.011288 -0.018878 0.011726 -0.000859 0.023663 0.019950 -0.001409 -0.120699 0.041183 -0.007853 0.026152 0.017861 0.000126 -0.077821 0.014857 -0.006594 -0.004419 0.000056 -0.012114 -0.004960 -0.005151 -0.000018 0.001632 0.001249 -0.015992 0.000430 0.001013 -0.049475 -0.005732 0.013975 0.001474 0.000767 0.000888 -0.004439 -0.000222 -0.000401 0.055985 -0.000815 0.010420 0.000400 0.000288 0.001174 0.015626 -0.004887 0.012854 0.004769 -0.003626 -0.008485 -0.039896 0.008539 0.015508 -0.004421 0.000158 0.001704 0.035315 -0.000257 -0.000837 -0.013168 -0.004566 -0.010141 0.000707 -0.000048 -0.000110 -0.009222 0.009938 0.003172 0.000494 0.000351 0.001041 0.012927 0.039613 0.001475 -0.000029 -0.019894 0.000509 -0.000272 0.005759 0.003049 -0.000170 0.009946 -0.014634 -0.000066 -0.033357 -0.013662 -0.000169 -0.011769 -0.001415 -0.000069 0.000079 -0.000257 -0.000644 -0.015514 0.016484 -0.000252 0.012729 -0.001351 0.000012 -0.035584 -0.014846 -0.000336 0.044542 0.015278 0.000470 -0.006069 -0.011764 0.000188 0.009901 -0.027019 -0.000860 0.001073 0.017514 0.000244 0.000284 0.000171 0.021501 -0.018032 -0.007832 0.000759 -0.000324 -0.000565 0.000749 -0.015237 -0.006721 -0.001563 -0.025409 -0.058783 0.001817 -0.012650 0.021585 -0.048886 0.026207 -0.007194 -0.028245 0.003926 0.000172 0.031979 0.009810 0.033634 -0.000334 0.046828 0.014984 0.002255 -0.069759 0.013498 -0.001125 0.007489 -0.007689 -0.000691 -0.008558 0.010709 -0.000094 -0.000393 -0.000364 -0.003682 0.000025 0.000099 -0.015715 -0.011269 -0.008747 -0.000089 -0.000529 0.002255 -0.000003 -0.000938 -0.002918 -0.000035 0.001964 0.005418 0.000048 -0.001449 0.002043 -0.000044 0.005364 0.002568 0.000047 -0.003692 0.000893 -0.000024 0.033995 0.173636 0.004768 -0.021845 -0.071127 -0.049233 -0.000781 0.013303 -0.047595 -0.000565 -0.007976 -0.022648 0.002741 -0.003940 0.094879 -0.035594 0.014161 -0.004057 0.042503 -0.000764 -0.002027</matrix>
               </module>
               <module cmlx:templateRef="orbitalenergies">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="717">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716</array>
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                             rows="92">0.047504 -0.008647 0.001614 -0.002369 0.008579 0.042953 -0.070564 0.017990 -0.011175 0.029475 0.012900 0.026189 0.009750 0.010152 0.000976 -0.055709 0.001949 -0.009692 -0.060387 0.022008 -0.039425 0.006818 0.009286 -0.021438 0.108536 0.015710 0.014793 0.012435 -0.085560 -0.006380 -0.055679 -0.126162 0.236358 -0.007996 -0.015700 0.027634 0.001091 -0.021708 -0.006368 -0.042586 0.098368 -0.037289 0.057945 -0.017875 -0.016224 0.086279 -0.001616 -0.083278 0.020508 0.012436 -0.016480 -0.010194 0.179697 0.113987 0.003904 -0.044200 0.007798 0.002348 0.004274 -0.011720 -0.003174 -0.001161 -0.001730 0.002847 -0.002833 0.002219 -0.003546 -0.007792 0.002892 -0.005643 0.004757 -0.030943 0.010128 0.008394 0.002725 -0.015313 0.017947 0.002144 0.011815 0.017134 -0.002658 0.014598 -0.016008 -0.064908 -0.028440 -0.021636 0.012718 0.003201 0.004575 0.019502 0.098895 -0.044142 0.036667 0.010561 0.001274 0.000714 -0.068190 0.020772 -0.000508 0.008278 -0.001960 -0.018091 -0.009012 0.005311 -0.050758 -0.004338 0.019293 0.006374 -0.003307 -0.000928 0.007939 0.003543 -0.000449 0.056275 -0.001229 0.011938 -0.002337 0.001855 -0.000325 0.013483 0.002460 -0.017778 -0.001292 -0.011171 -0.015776 0.000457 -0.000905 -0.001777 0.004493 -0.000724 -0.000639 0.005460 0.004480 0.008441 -0.000071 -0.000089 0.000653 0.000193 0.014036 0.005216 0.000866 0.011304 0.000973 0.015177 -0.004109 0.002304 -0.045825 0.034712 0.002678 -0.009894 0.023609 0.001029 -0.003236 -0.006472 -0.004719 0.000012 0.015661 -0.009724 -0.002606 -0.031921 -0.015262 0.002944 0.009360 -0.001460 -0.003498 -0.008849 0.001300 0.000041 0.015338 -0.019926 -0.001937 0.006760 -0.005442 0.000001 0.024234 0.009159 -0.002110 0.054966 0.019420 -0.003127 0.004613 -0.012011 0.002290 0.000431 0.029685 -0.001616 -0.004028 0.008264 -0.002371 0.008621 0.007742 0.016319 0.015000 0.004435 -0.013780 0.001835 0.001440 -0.000438 -0.029480 -0.008283 0.001333 -0.025100 -0.023220 0.000728 0.011580 0.060903 -0.003192 -0.004441 0.005788 0.048571 -0.016100 -0.001766 -0.005693 -0.017775 -0.034029 0.000450 0.007715 0.008204 -0.002163 -0.076566 0.001965 0.008047 -0.039675 -0.189160 -0.004474 -0.007017 0.005161 -0.001241 0.010116 -0.010530 0.001888 -0.000527 0.002754 0.001147 0.000352 -0.003075 -0.015724 0.011513 0.010967 -0.000721 0.000691 -0.003347 -0.000138 -0.000110 -0.001019 -0.000017 -0.000887 -0.006794 -0.000087 0.000511 0.001433 -0.000099 -0.005352 -0.002990 0.000410 0.003595 -0.001997 -0.000062 -0.026905 -0.082734 -0.003484 0.021616 -0.007748 -0.121114 -0.002882 -0.015789 0.011522 0.000901 0.015852 0.011523 -0.034475 -0.005486 -0.013914 0.038663 -0.004285 0.004426</matrix>
                  </module>
               </property>
            </propertyList>
            <molecule id="molecule">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="3.173148"
                        y3="-0.901038"
                        z3="-0.246345"/>
                  <atom elementType="C"
                        id="a2"
                        x3="1.90324"
                        y3="-1.403825"
                        z3="-0.15519"/>
                  <atom elementType="C"
                        id="a3"
                        x3="0.828111"
                        y3="-0.50221"
                        z3="-0.033408"/>
                  <atom elementType="C"
                        id="a4"
                        x3="1.046308"
                        y3="0.887328"
                        z3="-0.003981"/>
                  <atom elementType="C"
                        id="a5"
                        x3="2.374495"
                        y3="1.371029"
                        z3="-0.102029"/>
                  <atom elementType="C"
                        id="a6"
                        x3="3.413864"
                        y3="0.492957"
                        z3="-0.22088"/>
                  <atom elementType="H"
                        id="a7"
                        x3="1.706636"
                        y3="-2.468734"
                        z3="-0.169428"/>
                  <atom elementType="C"
                        id="a8"
                        x3="-0.083229"
                        y3="1.726973"
                        z3="0.121261"/>
                  <atom elementType="H"
                        id="a9"
                        x3="2.546851"
                        y3="2.440567"
                        z3="-0.080492"/>
                  <atom elementType="H"
                        id="a10"
                        x3="4.43008"
                        y3="0.85881"
                        z3="-0.295588"/>
                  <atom elementType="C"
                        id="a11"
                        x3="-1.345588"
                        y3="1.202704"
                        z3="0.21423"/>
                  <atom elementType="C"
                        id="a12"
                        x3="-1.524959"
                        y3="-0.189763"
                        z3="0.183596"/>
                  <atom elementType="H"
                        id="a13"
                        x3="0.061543"
                        y3="2.801611"
                        z3="0.143375"/>
                  <atom elementType="H"
                        id="a14"
                        x3="-2.208287"
                        y3="1.844831"
                        z3="0.308569"/>
                  <atom elementType="N"
                        id="a15"
                        x3="-0.457929"
                        y3="-0.968634"
                        z3="0.058503"/>
                  <atom elementType="H"
                        id="a16"
                        x3="-0.596561"
                        y3="-2.005398"
                        z3="0.023169"/>
                  <atom elementType="H"
                        id="a17"
                        x3="4.011324"
                        y3="-1.580958"
                        z3="-0.338838"/>
                  <atom elementType="C"
                        id="a18"
                        x3="-2.858274"
                        y3="-0.875978"
                        z3="0.304527"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-2.882895"
                        y3="-1.687438"
                        z3="-0.42688"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-2.881762"
                        y3="-1.361591"
                        z3="1.285935"/>
                  <atom elementType="C"
                        id="a21"
                        x3="-4.069896"
                        y3="0.034339"
                        z3="0.139554"/>
                  <atom elementType="H"
                        id="a22"
                        x3="-4.981818"
                        y3="-0.560572"
                        z3="0.183173"/>
                  <atom elementType="H"
                        id="a23"
                        x3="-4.128497"
                        y3="0.779934"
                        z3="0.934027"/>
                  <atom elementType="H"
                        id="a24"
                        x3="-4.054358"
                        y3="0.551539"
                        z3="-0.821571"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-0.739977"
                        y3="-3.645825"
                        z3="-0.012002"/>
                  <atom elementType="H"
                        id="a26"
                        x3="-1.104687"
                        y3="-4.136174"
                        z3="0.742473"/>
                  <atom elementType="H"
                        id="a27"
                        x3="-0.798112"
                        y3="-4.213514"
                        z3="-0.797697"/>
                  <atom elementType="O"
                        id="a28"
                        x3="-0.820441"
                        y3="-5.177363"
                        z3="-2.351818"/>
                  <atom elementType="H"
                        id="a29"
                        x3="-0.078735"
                        y3="-5.700645"
                        z3="-2.663668"/>
                  <atom elementType="H"
                        id="a30"
                        x3="-1.590643"
                        y3="-5.5125"
                        z3="-2.81597"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-1.71877"
                        y3="-4.822997"
                        z3="2.331079"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-1.100391"
                        y3="-5.15436"
                        z3="2.986634"/>
                  <atom elementType="H"
                        id="a33"
                        x3="-2.51509"
                        y3="-5.348534"
                        z3="2.43721"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
               </bondArray>
               <formula concise="C11H18NO3">
                  <atomArray count="11 18 1 3" elementType="C H N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">194.1226</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C11H12N.3H2O/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;;;/h3-8,12H,2H2,1H3;3*1H2">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:21,18,6,1,5,2,8,11,4,12,3,15;25;28;31/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3;;;/rA:33C3C3C3C3C3C3HC3HHC3C3HHNHHCHHCHHHOHHOHHOHH/rB:s1;s2;s3;s4;s1s5;s2;s4;s5;s6;s8;s11;s8;s11;s3s12;s15;s1;s12;s18;s18;s18;s21;s21;s21;;s25;s25;;s28;s28;;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">-710.78098632</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:nucrepener" units="nonsi:hartree">982.14073508</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:electener" units="nonsi:hartree">-1692.92172140</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:oneelecener"
                          units="nonsi:hartree">-2899.85976149</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:twoeener" units="nonsi:hartree">1206.93804009</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-1418.60860003</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:kineticenergy"
                          units="nonsi:hartree">707.82761372</scalar>
                  <scalar dataType="xsd:double" dictRef="o:vircoeff">2.00417245</scalar>
                  <list id="dftcomponents">
                     <scalar dataType="xsd:double" dictRef="cc:alphae">56.999987824039</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:betae">56.999987824039</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:totale">113.999975648079</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:exchangeener"
                             units="nonsi:hartree">-63.859063004458</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:correlationener"
                             units="nonsi:hartree">-4.738085801762</scalar>
                     <scalar dataType="xsd:double" dictRef="o:xcener" units="nonsi:hartree">-68.597148806220</scalar>
                  </list>
               </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">212.27</scalar>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-710.54261887</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-710.54167466</scalar>
               </module>
               <module cmlx:templateRef="gibbs" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-710.54167466</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalentropycorr"
                          units="nonsi:hartree">-0.06161906</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsenthalpy"
                          units="nonsi:hartree">-710.60329372</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:gibbsminuselec"
                          units="nonsi:hartree">0.23678072</scalar>
               </module>
               <module cmlx:templateRef="orbitalenergies" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="orbital">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="717">0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716</array>
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                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="717"
                            units="nonsi:electronvolt">-526.3357 -526.2671 -525.6248 -397.6346 -285.3629 -284.7829 -284.1342 -283.7326 -283.5375 -283.2620 -283.2520 -283.2155 -283.1600 -283.0280 -282.4189 -34.7031 -34.6010 -34.5327 -33.7949 -30.8670 -29.8905 -28.8724 -27.5705 -27.3389 -25.1405 -24.8741 -24.1567 -23.3631 -21.7783 -21.5259 -21.0509 -21.0000 -20.7876 -20.5821 -20.0993 -19.5639 -19.1963 -18.6497 -18.3964 -18.3267 -17.9221 -17.7161 -17.3010 -17.0043 -16.6731 -16.4896 -16.4261 -16.0464 -15.8983 -15.5776 -15.4558 -15.1806 -15.1409 -15.0587 -14.6573 -12.9308 -12.5551 -3.6502 -2.1384 -1.2146 -0.6074 -0.0699 0.2969 0.6784 0.9965 1.0482 1.2165 1.4564 1.8358 1.9284 1.9529 2.0269 2.2574 2.4295 2.4965 2.7228 3.2154 3.3839 3.4288 3.5373 3.6507 3.9044 4.1383 4.3274 4.5093 4.7272 5.1814 5.2396 5.4328 5.4946 5.7928 5.8593 5.9885 6.1082 6.3655 6.4036 6.5684 6.6599 6.7113 7.0323 7.1440 7.3365 7.6170 7.9589 8.1785 8.3587 8.4816 8.7798 8.8619 8.9788 9.0078 9.2165 9.4526 9.9585 10.1242 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35.1517 35.5178 35.7962 35.9770 36.1559 36.3662 36.5232 36.6570 37.0974 37.1555 37.3594 37.8560 37.8717 38.2211 38.4601 38.6140 39.0838 39.2434 39.2987 39.4481 39.6287 39.8857 40.0721 40.3352 40.4324 40.7773 40.9688 41.3265 41.6709 41.6909 41.8332 42.1979 42.7542 43.0325 43.3474 43.5754 44.0206 44.5520 44.5848 44.8956 45.0256 45.2740 45.4827 45.8999 46.4416 46.6353 47.0318 47.1002 47.3053 47.5826 47.7356 47.8912 48.1274 48.2093 48.4012 48.7444 48.9760 49.2224 49.4864 49.6808 49.9675 50.3377 50.4463 51.0943 51.2980 51.5190 52.1944 52.4294 52.5883 52.9550 53.9789 54.1840 54.5422 54.9864 55.1621 55.4733 55.7848 55.9891 56.1640 56.6083 56.7610 57.2632 57.6760 58.1784 58.2600 58.5750 59.1719 59.8154 60.1921 61.1537 61.4470 61.8348 62.5280 62.7088 63.0434 63.3163 63.6317 63.8561 64.5339 64.7637 65.0155 65.4188 65.6211 66.1451 66.6150 67.5070 68.2086 68.4990 68.6301 68.9619 69.5609 69.7333 70.0039 70.2459 70.5369 71.0238 71.4380 72.0178 72.3059 72.8186 73.1302 73.2059 73.3106 73.5323 73.8672 73.9831 74.3073 74.4594 74.9310 75.1988 75.8472 76.1299 76.2997 76.5381 76.8343 76.8964 77.4816 77.5838 77.7613 77.9314 78.4600 78.6758 78.7854 78.8817 79.2297 79.5111 79.6654 80.0357 80.1866 80.3586 80.7548 80.8657 81.0630 81.4367 81.4669 81.6627 81.9860 82.3167 82.4912 82.8666 83.1186 83.3372 83.6378 83.7967 83.9429 84.1444 84.3345 84.4995 84.6113 84.9037 85.0903 85.3359 85.4297 85.6244 85.7254 85.9093 86.1650 86.4022 86.5507 86.6143 86.9305 86.9841 87.1318 87.1486 87.4358 87.5634 88.0299 88.3364 88.4335 88.5934 88.6029 88.9730 89.0541 89.2992 89.4529 89.4762 89.7832 90.0128 90.0441 90.2487 90.4202 90.5297 90.8417 91.0137 91.2797 91.4098 91.4916 91.6435 91.6508 91.8030 92.0065 92.4498 92.5629 92.7096 93.0861 93.1624 93.6474 93.9821 94.3175 94.4905 94.7611 94.8665 95.2511 95.3186 95.5979 95.7738 95.8985 96.1510 96.5019 96.6190 97.1428 97.2717 97.7922 97.8614 98.1452 98.7089 98.8224 98.8579 98.9510 99.2445 99.4001 99.5950 99.8218 99.9776 100.2717 100.5214 100.7944 101.1055 101.1287 101.5160 101.6548 101.9064 102.0565 102.3023 102.3261 102.7139 102.9283 103.4138 103.8218 104.0781 104.1140 104.3177 104.5717 104.8305 105.0411 105.0900 105.5777 105.9723 106.0672 106.3527 106.5055 106.9147 107.0940 107.3623 107.5737 107.7384 107.8877 108.1210 108.1845 108.5497 108.7243 109.0064 109.1180 109.3716 109.5167 109.7628 109.9182 110.0997 110.2689 110.8054 110.8367 110.9804 111.1648 111.3645 111.5088 111.8322 111.8845 112.1691 112.3332 112.7285 112.8104 112.9662 113.1278 113.5591 113.5958 113.9493 114.1103 114.2217 114.6505 114.8007 114.9783 115.1533 115.2466 115.3426 115.8075 116.1117 116.4439 116.7611 116.8294 117.2215 117.3817 117.4772 117.6941 118.1769 118.4733 118.8236 118.9944 119.8774 120.0881 120.9384 121.2895 121.4795 121.8518 122.4346 122.5490 123.1490 123.4157 123.7834 124.2372 124.5883 125.1996 125.4887 125.5669 125.9472 126.1010 126.1990 126.6263 126.8693 127.4670 127.6373 127.9822 128.2337 128.4959 128.7639 129.4848 129.5746 129.8925 130.3724 130.4120 130.6430 131.0309 131.5261 132.0423 132.2748 132.3786 132.9478 133.3613 133.8394 134.3349 134.5854 134.7391 135.0768 135.4974 135.8092 136.1680 136.4745 136.8527 137.3243 137.6994 138.1235 138.7911 139.4068 139.8192 140.3899 140.5486 141.4733 141.8312 142.3869 142.5030 142.9080 143.7204 144.8936 145.2220 145.3530 145.7515 146.2077 146.9415 147.0511 147.5446 147.7663 148.6262 148.7787 149.9366 150.0720 150.6586 150.8564 151.7185 152.0792 152.3473 152.6999 153.1076 153.7165 153.7862 154.1958 155.0579 155.4057 156.2185 156.4070 158.4266 160.1816 161.5428 162.1662 163.3939 165.2602 166.1369 166.9031 167.8356 170.6604 172.9759 173.5687 173.8680 174.6336 175.0406 175.4711 175.8335 176.4145 177.3501 177.8389 178.3643 178.5204 180.4882 180.6234 183.1739 183.4030 183.6446 183.7381 184.0368 185.0181 186.7589 186.8018 187.9424 191.9248 196.8310 199.3714 200.2937 200.4408 201.0672 201.7077 204.8837 207.4824 207.8220 210.4877 617.7952 628.5173 629.1960 629.2631 632.4335 633.1962 634.5504 638.0314 642.5450 644.4863 655.5017 902.4642 1186.9341 1189.3002 1197.9949</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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                     <array dataType="xsd:double" dictRef="x:charge" size="33">-0.047856 -0.192390 0.153590 -0.023755 -0.090970 -0.125472 0.126761 -0.043416 0.145023 0.154745 -0.119491 0.141591 0.153098 0.149245 -0.054004 0.223439 0.154076 -0.103012 0.101484 0.116162 -0.271717 0.111994 0.092202 0.106994 -0.488481 0.254297 0.258271 -0.423042 0.241673 0.239864 -0.422766 0.242254 0.239607</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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                  <array dataType="xsd:double" dictRef="x:charge" size="33">0.034484 0.016484 -0.068767 -0.059166 0.037355 0.019534 0.027053 0.090934 0.033627 0.032178 0.013665 -0.046492 0.045263 0.034270 0.448880 -0.057135 0.033865 -0.011759 0.035005 0.041706 0.022764 0.022675 0.015340 0.018388 0.353482 -0.173196 -0.173113 0.334776 -0.113777 -0.114705 0.334157 -0.113064 -0.114710</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">C C C C C C H C H H C C H H N H H C H H C H H H O H H O H H O H H</array>
                     <array dataType="xsd:double" dictRef="o:na" size="33">6.0479 6.1924 5.8464 6.0238 6.0910 6.1255 0.8732 6.0434 0.8550 0.8453 6.1195 5.8584 0.8469 0.8508 7.0540 0.7766 0.8459 6.1030 0.8985 0.8838 6.2717 0.8880 0.9078 0.8930 8.4885 0.7457 0.7417 8.4230 0.7583 0.7601 8.4228 0.7577 0.7604</array>
                     <array dataType="xsd:double" dictRef="o:za" size="33">6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 6.0000 1.0000 1.0000 6.0000 6.0000 1.0000 1.0000 7.0000 1.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000 8.0000 1.0000 1.0000</array>
                     <array dataType="xsd:double" dictRef="o:qa" size="33">-0.0479 -0.1924 0.1536 -0.0238 -0.0910 -0.1255 0.1268 -0.0434 0.1450 0.1547 -0.1195 0.1416 0.1531 0.1492 -0.0540 0.2234 0.1541 -0.1030 0.1015 0.1162 -0.2717 0.1120 0.0922 0.1070 -0.4885 0.2543 0.2583 -0.4230 0.2417 0.2399 -0.4228 0.2423 0.2396</array>
                     <array dataType="xsd:double" dictRef="o:va" size="33">3.9959 4.0031 3.9034 3.8749 3.9666 4.0417 1.0597 3.9806 1.0021 0.9955 3.9101 3.8757 0.9966 1.0000 3.4381 1.0718 0.9944 3.8845 1.0195 1.0013 3.9422 1.0037 0.9980 0.9981 2.0113 1.0517 1.0494 2.0765 1.0118 1.0129 2.0776 1.0108 1.0132</array>
                     <array dataType="xsd:double" dictRef="o:bva" size="33">3.9959 4.0031 3.9034 3.8749 3.9666 4.0417 1.0597 3.9806 1.0021 0.9955 3.9101 3.8757 0.9966 1.0000 3.4381 1.0718 0.9944 3.8845 1.0195 1.0013 3.9422 1.0037 0.9980 0.9981 2.0113 1.0517 1.0494 2.0765 1.0118 1.0129 2.0776 1.0108 1.0132</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="34">1.6063 1.3142 0.9488 1.2985 0.9269 1.2944 1.1814 1.2560 1.2155 1.6292 0.9397 0.9517 1.5702 0.9436 1.3020 0.9662 1.4026 0.9839 0.8202 0.2196 0.9896 0.9583 0.9434 0.9863 0.9833 0.9973 0.9136 0.9087 0.1103 0.1126 0.9898 0.9906 0.9894 0.9913</array>
                     <matrix cols="2" dataType="xsd:integer" dictRef="x:serial" rows="34">0 1 0 5 0 16 1 2 1 6 2 3 2 14 3 4 3 7 4 5 4 8 5 9 7 10 7 12 10 11 10 13 11 14 11 17 14 15 15 24 17 18 17 19 17 20 20 21 20 22 20 23 24 25 24 26 25 30 26 27 27 28 27 29 30 31 30 32</matrix>
                  </module>
               </module>
               <module cmlx:templateRef="dftd3" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:dispcorr" units="nonsi:hartree">-0.058940110</scalar>
               </module>
               <module cmlx:templateRef="finalspenergy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:energy">-710.844914742198</scalar>
               </module>
               <module cmlx:templateRef="electricproperties" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="9">-11.95721 11.23246 -0.72475 -9.59119 8.09868 -1.49252 0.32748 -0.29122 0.03626</array>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:au">1.65957</scalar>
                  <scalar dataType="xsd:double" dictRef="o:magnitude" units="nonsi2:debye">4.21830</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">212.27</scalar>
               </module>
               <module cmlx:templateRef="innerenergy" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="contributions">
                     <scalar dataType="xsd:double" dictRef="o:electronic" units="nonsi:hartree">-710.84491474</scalar>
                     <scalar dataType="xsd:double" dictRef="o:zeropoint" units="nonsi:hartree">0.28050450</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:thermalvibcorrection"
                             units="nonsi:hartree">0.01664314</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">-710.54493455</scalar>
                  </module>
                  <module cmlx:templateRef="corrections">
                     <scalar dataType="xsd:double" dictRef="o:thermalcorr" units="nonsi:hartree">0.01947569</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="o:nonthermalcorr"
                             units="nonsi:hartree">0.28050450</scalar>
                     <scalar dataType="xsd:double" dictRef="o:totalcorr" units="nonsi:hartree">0.29998019</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="enthalpy" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="o:totalfree" units="nonsi:hartree">-710.54493455</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:thermalcorrenthalpy"
                          units="nonsi:hartree">0.00094421</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="o:totalenthalpy"
                          units="nonsi:hartree">-710.54399034</scalar>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
