<?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:compchem="http://www.xml-cml.org/dictionary/compchem/" xmlns:convention="http://www.xml-cml.org/convention/" xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/" xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/" xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/" 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="gaussian.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">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-MILES</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">GMALLOCI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">remark line goes here</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">16-Oct-2021</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">25-Dec-2016</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:nactiveatoms">
                  <scalar dataType="xsd:integer">40</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">40</scalar>
               </parameter>
               <parameter dictRef="cc:diffuse">
                  <scalar dataType="xsd:string">(6D, 7F)</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#B3LYP/6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCF(Conver=8)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=(PCM,Solvent=Water)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Opt(Tight)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">NoSymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Int=UltraFine</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol" formalCharge="0" id="zmat" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="F" id="a1" x3="-2.1154" y3="2.6499" z3="-0.4619"/>
                  <atom elementType="O" id="a2" x3="2.9252" y3="2.2611" z3="-0.3533"/>
                  <atom elementType="O" id="a3" x3="5.2271" y3="1.3101" z3="0.4885"/>
                  <atom elementType="O" id="a4" x3="5.6093" y3="-0.8127" z3="-0.2713"/>
                  <atom elementType="N" id="a5" x3="-3.0150" y3="0.1116" z3="0.0010"/>
                  <atom elementType="N" id="a6" x3="-5.7757" y3="-0.5684" z3="0.2563"/>
                  <atom elementType="N" id="a7" x3="1.4852" y3="-1.4794" z3="0.3311"/>
                  <atom elementType="N" id="a8" x3="-0.7903" y3="-0.6745" z3="0.1646"/>
                  <atom elementType="C" id="a9" x3="-3.4879" y3="-1.2155" z3="-0.4156"/>
                  <atom elementType="C" id="a10" x3="-3.8552" y3="0.8073" z3="0.9820"/>
                  <atom elementType="C" id="a11" x3="-4.9642" y3="-1.1588" z3="-0.8070"/>
                  <atom elementType="C" id="a12" x3="-5.3188" y3="0.7905" z3="0.5417"/>
                  <atom elementType="C" id="a13" x3="-1.6383" y3="0.3609" z3="-0.0341"/>
                  <atom elementType="C" id="a14" x3="0.5479" y3="-0.4328" z3="0.1300"/>
                  <atom elementType="C" id="a15" x3="1.0289" y3="0.8663" z3="-0.1075"/>
                  <atom elementType="C" id="a16" x3="-1.2340" y3="1.6599" z3="-0.2722"/>
                  <atom elementType="C" id="a17" x3="0.1283" y3="1.9148" z3="-0.3090"/>
                  <atom elementType="C" id="a18" x3="0.9319" y3="-2.8059" z3="0.5722"/>
                  <atom elementType="C" id="a19" x3="2.4891" y3="1.1357" z3="-0.1465"/>
                  <atom elementType="C" id="a20" x3="2.8389" y3="-1.2162" z3="0.2920"/>
                  <atom elementType="C" id="a21" x3="3.3955" y3="-0.0191" z3="0.0741"/>
                  <atom elementType="C" id="a22" x3="0.7323" y3="-3.5675" z3="-0.7219"/>
                  <atom elementType="C" id="a23" x3="4.8551" y3="0.0828" z3="0.0667"/>
                  <atom elementType="H" id="a24" x3="-6.7145" y3="-0.48746" z3="-0.10731"/>
                  <atom elementType="H" id="a25" x3="-5.60188" y3="-1.11282" z3="1.08906"/>
                  <atom elementType="H" id="a26" x3="-2.92429" y3="-1.46371" z3="-1.31495"/>
                  <atom elementType="H" id="a27" x3="-3.41173" y3="-1.84962" z3="0.46768"/>
                  <atom elementType="H" id="a28" x3="-3.78653" y3="0.22303" z3="1.89961"/>
                  <atom elementType="H" id="a29" x3="-3.52597" y3="1.84634" z3="0.97156"/>
                  <atom elementType="H" id="a30" x3="-5.31128" y3="-2.18763" z3="-0.90262"/>
                  <atom elementType="H" id="a31" x3="-5.04688" y3="-0.47499" z3="-1.65179"/>
                  <atom elementType="H" id="a32" x3="-5.37502" y3="1.32293" z3="-0.40775"/>
                  <atom elementType="H" id="a33" x3="-5.91387" y3="1.12634" z3="1.39094"/>
                  <atom elementType="H" id="a34" x3="0.48696" y3="2.92732" z3="-0.49412"/>
                  <atom elementType="H" id="a35" x3="1.68998" y3="-3.34102" z3="1.1441"/>
                  <atom elementType="H" id="a36" x3="-0.05654" y3="-2.63869" z3="1.00014"/>
                  <atom elementType="H" id="a37" x3="3.53914" y3="-2.03662" z3="0.44907"/>
                  <atom elementType="H" id="a38" x3="0.76319" y3="-4.6385" z3="-0.52165"/>
                  <atom elementType="H" id="a39" x3="-0.23454" y3="-3.30601" z3="-1.15196"/>
                  <atom elementType="H" id="a40" x3="1.52462" y3="-3.30601" z3="-1.42329"/>
               </atomArray>
               <bondArray/>
               <formula concise="C15H17FN4O3"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">303.1839031999998</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
            <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.1154,2.6499,-.4619;2.9252,2.2611,-.3533;5.2271,1.3101,.4885;5.6093,-.8127,-.2713;-3.015,.1116,.001;-5.7757,-.5684,.2563;1.4852,-1.4794,.3311;-.7903,-.6745,.1646;-3.4879,-1.2155,-.4156;-3.8552,.8073,.982;-4.9642,-1.1588,-.807;-5.3188,.7905,.5417;-1.6383,.3609,-.0341;.5479,-.4328,.13;1.0289,.8663,-.1075;-1.234,1.6599,-.2722;.1283,1.9148,-.309;.9319,-2.8059,.5722;2.4891,1.1357,-.1465;2.8389,-1.2162,.292;3.3955,-.0191,.0741;.7323,-3.5675,-.7219;4.8551,.0828,.0667;-6.7145,-.4875,-.1073;-5.6019,-1.1128,1.0891;-2.9243,-1.4637,-1.315;-3.4117,-1.8496,.4677;-3.7865,.223,1.8996;-3.526,1.8463,.9716;-5.3113,-2.1876,-.9026;-5.0469,-.475,-1.6518;-5.375,1.3229,-.4078;-5.9139,1.1263,1.3909;.487,2.9273,-.4941;1.69,-3.341,1.1441;-.0565,-2.6387,1.0001;3.5391,-2.0366,.4491;.7632,-4.6385,-.5216;-.2345,-3.306,-1.152;1.5246,-3.306,-1.4233;</scalar>
</formula>
</molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="1">Output=mol.log</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">NProcShared=52</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=1Gb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Chk=mol</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight) No</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2201,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,38=5,53=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=1,6=6,7=101,11=2,25=1,30=1,70=2205,71=1,72=1,74=-5,75=-5/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,6=8,38=5,53=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/7=10,18=20,19=15,26=6/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,19=2,28=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">remark line goes here</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="42">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="42">1 2 3 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 16 17 18 18 18 19 20 20 21 22 22 22</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="42">16 19 23 23 9 10 13 11 12 24 25 14 18 20 13 14 11 26 27 12 28 29 30 31 32 33 16 15 17 19 17 34 22 35 36 21 21 37 23 38 39 40</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="42">1.339 1.2245 1.35 1.2186 1.4691 1.4671 1.3995 1.4621 1.4618 1.01 1.01 1.4193 1.4574 1.3796 1.353 1.3603 1.5284 1.09 1.09 1.5285 1.09 1.09 1.09 1.09 1.09 1.09 1.3811 1.4055 1.3968 1.4854 1.3864 1.09 1.5148 1.09 1.09 1.4845 1.338 1.09 1.4632 1.09 1.09 1.09</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="42">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="76">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="76">9 9 10 11 11 11 12 12 24 14 14 18 13 5 5 5 11 11 26 5 5 5 12 12 28 6 6 6 9 9 30 6 6 6 10 10 32 5 5 8 7 7 8 14 14 17 1 1 13 15 15 16 7 7 7 22 22 35 2 2 15 7 7 21 19 19 20 18 18 18 38 38 39 3 3 4</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="76">5 5 5 6 6 6 6 6 6 7 7 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="76">10 13 13 12 24 25 24 25 25 18 20 20 14 11 26 27 26 27 27 12 28 29 28 29 29 9 30 31 30 31 31 10 32 33 32 33 33 8 16 16 8 15 15 17 19 19 13 17 17 16 34 34 22 35 36 35 36 36 15 21 21 21 37 37 20 23 23 38 39 40 39 40 40 4 21 21</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="76">115.6981 118.0625 119.7134 110.1141 106.6452 106.6451 106.6376 106.6378 119.9998 116.3541 120.219 123.4268 118.4807 110.4893 105.8564 105.8567 107.2542 107.254 120.0003 110.5216 105.8223 105.8221 107.2738 107.274 120.0001 111.3991 105.5577 105.5581 107.1591 107.159 119.9999 111.4539 105.5394 105.5393 107.1538 107.1538 119.9997 118.4588 117.3751 124.166 121.0009 118.6546 120.3445 119.8376 120.5645 119.5979 121.8107 120.4707 117.7186 119.4525 120.6394 119.9081 111.4893 105.6409 105.6409 107.0407 107.0403 120.0001 121.4146 121.505 117.0803 125.6952 118.8606 115.4441 117.7863 123.6523 118.5614 109.471 109.4711 109.4712 109.4716 109.4713 109.471 125.745 109.6705 124.5846</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="76">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="111">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="111">10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 12 12 12 24 24 24 25 25 25 11 11 11 24 24 24 25 25 25 18 18 20 20 14 14 14 20 20 20 14 14 18 18 14 14 13 13 5 5 5 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 5 5 8 8 7 7 8 8 14 14 19 19 14 14 17 17 1 1 13 13 7 7 7 35 35 35 36 36 36 2 2 15 15 7 7 37 37 19 19 20 20</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="111">5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21</array>
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               <module cmlx:templateRef="l301.basis" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</scalar>
                  <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                  <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                  <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
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               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
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                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 25 out of a maximum of 239</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
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                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-2.89418096e-12</scalar>
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                  <module cmlx:templateRef="l103.deltas">
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                        <array dataType="xsd:string" dictRef="cc:variable" size="229">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111</array>
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                        <array dataType="xsd:double" dictRef="cc:newval" size="229">2.56643 2.35005 2.37299 2.38994 2.76359 2.77570 2.63577 2.85774 2.85502 1.93505 1.93857 2.61697 2.78905 2.58165 2.51463 2.54204 2.87916 2.05843 2.07975 2.87558 2.08175 2.05378 2.05983 2.06105 2.06053 2.05989 2.68469 2.66178 2.65622 2.80250 2.58659 2.04883 2.88783 2.06380 2.05995 2.75985 2.58954 2.04850 2.91962 2.06799 2.06573 2.06760 1.95785 2.05068 2.08741 1.95733 1.91328 1.91599 1.91448 1.91311 1.84638 2.11413 2.07519 2.09342 2.08989 1.91663 1.90925 1.94935 1.88717 1.93100 1.86876 1.92348 1.92845 1.92772 1.92123 1.88122 1.88072 1.92731 1.87488 1.85649 1.94554 1.94209 1.91427 1.91563 1.86085 1.87720 1.94247 1.94764 1.91690 2.06516 2.12250 2.09372 2.05164 2.07190 2.15953 2.02914 2.15197 2.10197 2.09037 2.08855 2.10387 2.08942 2.08051 2.11289 1.96812 1.86205 1.87884 1.93221 1.93253 1.88659 2.08331 2.21128 1.98848 2.20853 2.02040 2.05425 2.06916 2.19112 2.02276 1.91425 1.93673 1.93823 1.89009 1.88872 1.89450 2.21750 2.05297 2.01236 1.04835 3.11686 -1.10063 -2.71394 -0.64543 1.42026 -1.05920 1.06796 -3.13595 2.71760 -1.43843 0.64085 -0.11406 2.96301 2.35953 -0.84658 0.93804 3.06302 -1.17133 3.06902 -1.08918 0.95965 -1.19311 0.93187 2.98071 -0.93829 1.16760 -3.06031 -3.06859 -0.96270 1.09257 1.19450 -2.98280 -0.92753 0.06304 -3.09479 -3.11034 0.01501 1.47743 -2.68092 -0.65939 -1.63205 0.49279 2.51433 0.00400 -3.14099 3.11419 -0.03080 3.09818 0.02000 3.13989 0.01543 -0.96922 -3.05190 1.08830 -3.05131 1.14919 -0.99379 1.19052 -0.89216 -3.03514 0.97796 -1.07779 3.05721 -1.15347 3.07396 0.92578 3.08286 1.02711 -1.12107 -0.00443 -3.11564 3.07160 -0.03960 3.12825 0.00286 -0.03066 3.12714 0.01013 -3.10287 3.13601 0.02301 3.09084 -0.03606 -0.03390 3.12239 -3.08800 0.02446 0.02324 3.13570 3.12940 -1.06626 1.04263 1.04473 3.13226 -1.04204 -1.04740 1.04013 -3.13417 -3.07360 0.08734 0.05202 -3.07022 -0.04011 3.08398 3.10494 -0.05416 0.25735 -2.91109 -2.86534 0.24939</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
                        <array dataType="xsd:double" dictRef="g:value" size="4">0.000000 0.000000 0.000053 0.000005</array>
                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000015 0.000010 0.000060 0.000040</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES YES YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-3.739048e-12</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="42">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="42">1 2 3 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 16 17 18 18 18 19 20 20 21 22 22 22</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="42">16 19 23 23 9 10 13 11 12 24 25 14 18 20 13 14 11 26 27 12 28 29 30 31 32 33 16 15 17 19 17 34 22 35 36 21 21 37 23 38 39 40</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="42">1.3581 1.2436 1.2557 1.2647 1.4624 1.4688 1.3948 1.5123 1.5108 1.024 1.0258 1.3848 1.4759 1.3662 1.3307 1.3452 1.5236 1.0893 1.1006 1.5217 1.1016 1.0868 1.09 1.0907 1.0904 1.09 1.4207 1.4086 1.4056 1.483 1.3688 1.0842 1.5282 1.0921 1.0901 1.4604 1.3703 1.084 1.545 1.0943 1.0931 1.0941</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="42">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="76">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="76">9 9 10 11 11 11 12 12 24 14 14 18 13 5 5 5 11 11 26 5 5 5 12 12 28 6 6 6 9 9 30 6 6 6 10 10 32 5 5 8 7 7 8 14 14 17 1 1 13 15 15 16 7 7 7 22 22 35 2 2 15 7 7 21 19 19 20 18 18 18 38 38 39 3 3 4</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="76">5 5 5 6 6 6 6 6 6 7 7 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="76">10 13 13 12 24 25 24 25 25 18 20 20 14 11 26 27 26 27 27 12 28 29 28 29 29 9 30 31 30 31 31 10 32 33 32 33 33 8 16 16 8 15 15 17 19 19 13 17 17 16 34 34 22 35 36 35 36 36 15 21 21 21 37 37 20 23 23 38 39 40 39 40 40 4 21 21</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="76">112.1767 117.4955 119.6 112.1468 109.623 109.778 109.6918 109.6134 105.7895 121.1307 118.8999 119.9443 119.7417 109.8149 109.3919 111.6895 108.1267 110.6382 107.0718 110.2075 110.4923 110.4501 110.0784 107.7859 107.7574 110.4266 107.4227 106.3692 111.4713 111.2733 109.6794 109.7574 106.6187 107.5557 111.2954 111.5913 109.8303 118.3249 121.6105 119.9614 117.5501 118.7109 123.732 116.2609 123.2986 120.434 119.7693 119.6652 120.5427 119.7151 119.2047 121.0595 112.7648 106.6879 107.6497 110.7075 110.7261 108.0938 119.3651 126.6973 113.9315 126.5393 115.7605 117.6999 118.554 125.5418 115.8957 109.6783 110.9664 111.0524 108.2943 108.2158 108.547 127.0533 117.6264 115.2996</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="76">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="110">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="110">10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 12 12 12 24 24 24 25 25 25 11 11 11 24 24 24 25 25 25 18 18 20 20 14 14 14 20 20 20 14 14 18 18 14 14 13 13 5 5 5 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 5 5 8 8 7 7 8 8 14 14 19 19 14 14 17 17 1 1 13 13 7 7 7 35 35 35 36 36 36 2 2 15 15 7 7 37 37 19 19 20</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="110">5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="110">9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 18 18 18 18 18 18 20 20 20 20 13 13 14 14 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 15 15 15 15 17 17 17 17 19 19 19 19 17 17 17 17 22 22 22 22 22 22 22 22 22 21 21 21 21 21 21 21 21 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="110">11 26 27 11 26 27 12 28 29 12 28 29 8 16 8 16 9 30 31 9 30 31 9 30 31 10 32 33 10 32 33 10 32 33 8 15 8 15 22 35 36 22 35 36 21 37 21 37 5 16 7 15 6 30 31 6 30 31 6 30 31 6 32 33 6 32 33 6 32 33 1 17 1 17 17 19 17 19 16 34 16 34 2 21 2 21 15 34 15 34 38 39 40 38 39 40 38 39 40 20 23 20 23 19 23 19 23 3 4 3</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="110">60.066 178.5829 -63.0615 -155.4974 -36.9805 81.375 -60.6877 61.1893 -179.6767 155.707 -82.4159 36.718 -6.5353 169.7679 135.1912 -48.5057 53.7456 175.498 -67.1124 175.842 -62.4056 54.984 -68.3601 53.3923 170.7819 -53.7598 66.8986 -175.343 -175.8171 -55.1586 62.5997 68.4397 -170.9019 -53.1435 3.6123 -177.3186 -178.2091 0.86 84.6504 -153.6052 -37.7799 -93.5093 28.2351 144.0603 0.2288 -179.9658 178.4295 -1.7651 177.5123 1.1461 179.9025 0.8842 -55.5321 -174.861 62.355 -174.8272 65.8438 -56.9402 68.2119 -51.117 -173.901 56.0328 -61.7529 175.1655 -66.0891 176.1252 53.0436 176.6349 58.8491 -64.2324 -0.254 -178.5128 175.9898 -2.2691 179.2359 0.1642 -1.7564 179.1719 0.5803 -177.7815 179.6804 1.3186 177.0921 -2.0661 -1.9424 178.8994 -176.9292 1.4015 1.3314 179.6621 179.3015 -61.0919 59.7382 59.8586 179.4652 -59.7047 -60.0115 59.5952 -179.5747 -176.1042 5.0045 2.9808 -175.9105 -2.2979 176.6992 177.9 -3.1029 14.7441 -166.7945 -164.1733</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="110">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.1154" y3="2.6499" z3="-0.4619">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.9252" y3="2.2611" z3="-0.3533">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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               </module>
               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
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               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
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                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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</formula>
</molecule>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5656484 0.1345300 0.1122803</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.080089" y3="2.713063" z3="-0.397095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.970284" y3="2.392948" z3="-0.300966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.451485" y3="1.076641" z3="0.46341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.422651" y3="-1.013537" z3="-0.360073">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.008228" y3="0.118207" z3="0.019343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.750869" y3="-0.621931" z3="0.228127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.383492" y3="-1.395216" z3="0.298118">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.774938" y3="-0.582353" z3="0.196329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.38819" y3="-1.280658" z3="-0.214588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.888022" y3="0.870782" z3="0.929251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.824463" y3="-1.337169" z3="-0.752315">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.332829" y3="0.833812" z3="0.417981">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642143" y3="0.408511" z3="0.032342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.539269" y3="-0.323221" z3="0.142329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.093201" y3="0.963925" z3="-0.054778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.17012" y3="1.72899" z3="-0.19589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.171369" y3="2.008227" z3="-0.224333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.888091" y3="-2.782962" z3="0.493244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="2.551967" y3="1.238088" z3="-0.097947">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="2.724833" y3="-1.172165" z3="0.247486">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="3.357255" y3="0.042456" z3="0.084779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.660266" y3="-3.525867" z3="-0.848366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.89335" y3="0.02759" z3="0.126782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a24" x3="-6.717891" y3="-0.663797" z3="-0.112943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a25" x3="-5.73361" y3="-1.108534" z3="1.134071">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-2.740914" y3="-1.694581" z3="-0.984686">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-5.161459" y3="-2.368613" z3="-0.842655">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.912632" y3="-0.821988" z3="-1.708023">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.417571" y3="1.3207" z3="-0.553482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.012223" y3="1.291099" z3="1.135677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="0.536275" y3="3.010871" z3="-0.402452">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="1.631135" y3="-3.299901" z3="1.101554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.039002" y3="-2.70712" z3="1.053784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.3232" y3="-2.068779" z3="0.35554">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="0.699029" y3="-4.60845" z3="-0.689963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a39" x3="-0.312708" y3="-3.282639" z3="-1.285248">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.431742" y3="-3.269251" z3="-1.581666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0914,2.7211,-.3926;2.9621,2.3834,-.3053;5.4134,1.0274,.6895;5.4219,-1.0764,-.1026;-3.019,.1243,.0121;-5.7604,-.6027,.2493;1.4018,-1.4051,.2474;-.7826,-.5846,.1703;-3.3987,-1.28,-.1191;-3.8992,.907,.885;-4.8228,-1.3761,-.6636;-5.3359,.8511,.3743;-1.6532,.4091,.0273;.5382,-.3347,.1101;1.0849,.9546,-.0706;-1.1824,1.7307,-.1942;.1565,2.0032,-.2247;.918,-2.7957,.4117;2.5424,1.2258,-.1139;2.7468,-1.1774,.1961;3.3578,.0438,.0499;.6886,-3.5065,-.9317;4.903,.0684,.0856;-6.7267,-.6689,-.0858;-5.779,-1.0405,1.1774;-2.7334,-1.7631,-.8345;-3.3036,-1.8526,.8164;-3.8478,.5731,1.9335;-3.5925,1.9515,.8756;-5.1756,-2.406,-.702;-4.9149,-.9311,-1.6534;-5.4314,1.2904,-.6183;-6.0326,1.3432,1.0517;.5224,3.0079,-.398;1.6588,-3.3196,1.0163;-.0002,-2.7517,.9931;3.3637,-2.0633,.2797;.7042,-4.591,-.7864;-.2751,-3.233,-1.3694;1.4748,-3.253,-1.6495;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5604784 0.1354085 0.1121716</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="5.483002" y3="1.062931" z3="0.657512">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.498218" y3="-1.040349" z3="-0.183848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.017473" y3="0.139387" z3="-0.00652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.754226" y3="-0.621818" z3="0.256863">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.403449" y3="-1.41592" z3="0.251034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.792469" y3="-0.579752" z3="0.149364">
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                              </property>
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                              </property>
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                              </property>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-0.269433" y3="-3.132467" z3="-1.424921">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.487102" y3="-3.268313" z3="-1.63885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0634,2.756,-.4284;2.9396,2.3655,-.2819;5.483,1.0629,.6575;5.4982,-1.0403,-.1838;-3.0175,.1394,-.0065;-5.7542,-.6218,.2569;1.4034,-1.4159,.251;-.7925,-.5798,.1494;-3.3881,-1.2694,-.0984;-3.9111,.9146,.8594;-4.8113,-1.4017,-.6235;-5.346,.8247,.3634;-1.6504,.4297,.0058;.5345,-.3402,.1076;1.0785,.9482,-.0599;-1.1797,1.7493,-.2109;.1653,2.0057,-.2278;.88,-2.7878,.387;2.5366,1.2074,-.0801;2.7571,-1.1959,.2271;3.3711,.0177,.1028;.6569,-3.4757,-.9586;4.9143,.0197,.1855;-6.7117,-.6955,-.0941;-5.7584,-1.0375,1.1925;-2.7161,-1.763,-.8023;-3.2919,-1.7835,.8678;-3.8515,.5595,1.8981;-3.6185,1.9627,.841;-5.1482,-2.4387,-.6183;-4.9057,-.9774,-1.6233;-5.444,1.2454,-.6375;-6.0423,1.3077,1.0492;.5418,3.0099,-.3965;1.6028,-3.3415,.9884;-.0572,-2.7234,.9408;3.385,-2.0751,.3177;.5946,-4.5582,-.8165;-.2694,-3.1325,-1.4249;1.4871,-3.2683,-1.6388;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5608485 0.1346735 0.1116503</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067648" y3="2.742596" z3="-0.411273">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.954623" y3="2.376256" z3="-0.266391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.453509" y3="1.074739" z3="0.646425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.471931" y3="-1.053597" z3="-0.117126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.012381" y3="0.124718" z3="-0.007653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.756346" y3="-0.61307" z3="0.264356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.398403" y3="-1.412274" z3="0.239225">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.783622" y3="-0.5871" z3="0.13728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.388195" y3="-1.287223" z3="-0.058536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.538244" y3="-0.336619" z3="0.097886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.083697" y3="0.953367" z3="-0.061913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-1.176182" y3="1.740267" z3="-0.20506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.16634" y3="2.00658" z3="-0.221523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="0.881152" y3="-2.789921" z3="0.358362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
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                           </atom>
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                           </atom>
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                              <property dictRef="g:atomicType">
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                           </atom>
                           <atom elementType="H" id="a34" x3="0.537883" y3="3.012643" z3="-0.382038">
                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.054022" y3="-2.735158" z3="0.915478">
                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.368785" y3="-2.072927" z3="0.319496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="0.533515" y3="-4.54257" z3="-0.86241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-0.22801" y3="-3.071818" z3="-1.496629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.522528" y3="-3.307234" z3="-1.655526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0676,2.7426,-.4113;2.9546,2.3763,-.2664;5.4535,1.0747,.6464;5.4719,-1.0536,-.1171;-3.0124,.1247,-.0077;-5.7563,-.6131,.2644;1.3984,-1.4123,.2392;-.7836,-.5871,.1373;-3.3882,-1.2872,-.0585;-3.9033,.9234,.8431;-4.8099,-1.4269,-.5882;-5.3365,.8362,.3399;-1.6456,.4163,.0003;.5382,-.3366,.0979;1.0837,.9534,-.0619;-1.1762,1.7403,-.2051;.1663,2.0066,-.2215;.8812,-2.7899,.3584;2.5413,1.2176,-.0826;2.7482,-1.1889,.2272;3.3644,.0275,.1105;.6621,-3.4649,-.9989;4.903,.0268,.2127;-6.7111,-.6856,-.098;-5.7835,-1.0075,1.2106;-2.7177,-1.8124,-.739;-3.2983,-1.7736,.9243;-3.85,.5859,1.8899;-3.6063,1.9697,.8146;-5.1493,-2.4622,-.5578;-4.896,-1.0382,-1.6035;-5.4278,1.2405,-.6687;-6.0297,1.3458,1.0091;.5379,3.0126,-.382;1.6025,-3.3481,.9585;-.054,-2.7352,.9155;3.3688,-2.0729,.3195;.5335,-4.5426,-.8624;-.228,-3.0718,-1.4966;1.5225,-3.3072,-1.6555;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5610061 0.1352025 0.1119419</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.050639" y3="2.757307" z3="-0.411843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.969198" y3="2.369036" z3="-0.29461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.458892" y3="1.075519" z3="0.562833">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.450837" y3="-1.088257" z3="-0.083249">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.008439" y3="0.128247" z3="0.004383">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.757374" y3="-0.625239" z3="0.243908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.395279" y3="-1.408518" z3="0.247206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.780758" y3="-0.575945" z3="0.147884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.37492" y3="-1.288233" z3="-0.015581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-1.167381" y3="1.751117" z3="-0.186853">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.175854" y3="2.013416" z3="-0.202051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="0.879176" y3="-2.787643" z3="0.347806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="2.744107" y3="-1.188353" z3="0.228807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
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                           </atom>
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                              <property dictRef="g:atomicType">
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                           </atom>
                           <atom elementType="H" id="a34" x3="0.549429" y3="3.018066" z3="-0.362984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="1.609457" y3="-3.358737" z3="0.925629">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.046188" y3="-2.747895" z3="0.921887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.360483" y3="-2.076382" z3="0.308992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="0.387642" y3="-4.489505" z3="-0.889914">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-0.179095" y3="-2.943468" z3="-1.549354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.539598" y3="-3.373896" z3="-1.641836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0506,2.7573,-.4118;2.9692,2.369,-.2946;5.4589,1.0755,.5628;5.4508,-1.0883,-.0832;-3.0084,.1282,.0044;-5.7574,-.6252,.2439;1.3953,-1.4085,.2472;-.7808,-.5759,.1479;-3.3749,-1.2882,-.0156;-3.9189,.9245,.8414;-4.785,-1.451,-.5674;-5.3428,.8258,.3143;-1.643,.4274,.0183;.5413,-.3288,.1123;1.0917,.9594,-.0427;-1.1674,1.7511,-.1869;.1759,2.0134,-.2021;.8792,-2.7876,.3478;2.5494,1.2218,-.0599;2.7441,-1.1884,.2288;3.3656,.0264,.1142;.6419,-3.4331,-1.0188;4.9036,.0152,.199;-6.6989,-.7018,-.1523;-5.8219,-1.0086,1.1937;-2.6904,-1.8304,-.6668;-3.296,-1.7458,.9829;-3.8797,.5847,1.8893;-3.6325,1.9725,.8249;-5.1153,-2.4885,-.52;-4.8542,-1.0923,-1.5954;-5.4209,1.2246,-.6978;-6.0485,1.3402,.9665;.5494,3.0181,-.363;1.6095,-3.3587,.9256;-.0462,-2.7479,.9219;3.3605,-2.0764,.309;.3876,-4.4895,-.8899;-.1791,-2.9435,-1.5494;1.5396,-3.3739,-1.6418;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5617948 0.1354456 0.1120511</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.056692" y3="2.752403" z3="-0.3758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.961172" y3="2.379047" z3="-0.26491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.455983" y3="1.106157" z3="0.531285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.459098" y3="-1.096177" z3="0.039254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.007639" y3="0.117275" z3="0.019449">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.768427" y3="-0.614428" z3="0.238676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.40324" y3="-1.414383" z3="0.22107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.776385" y3="-0.584798" z3="0.138261">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381327" y3="-1.298185" z3="0.045015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924816" y3="0.934828" z3="0.830321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.783833" y3="-1.473501" z3="-0.520314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.341325" y3="0.832715" z3="0.284813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.64288" y3="0.417393" z3="0.025389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.545384" y3="-0.336139" z3="0.09406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.092033" y3="0.953837" z3="-0.055179">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.170961" y3="1.743825" z3="-0.169585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.172017" y3="2.007288" z3="-0.194263">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.893082" y3="-2.795666" z3="0.30787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="2.548979" y3="1.217643" z3="-0.096888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="2.75128" y3="-1.187792" z3="0.214789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="3.370643" y3="0.028727" z3="0.104663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
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                              <property dictRef="g:atomicType">
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                           </atom>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.402343" y3="1.211002" z3="-0.736319">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.051857" y3="1.367647" z3="0.91513">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0567,2.7524,-.3758;2.9612,2.379,-.2649;5.456,1.1062,.5313;5.4591,-1.0962,.0393;-3.0076,.1173,.0194;-5.7684,-.6144,.2387;1.4032,-1.4144,.2211;-.7764,-.5848,.1383;-3.3813,-1.2982,.045;-3.9248,.9348,.8303;-4.7838,-1.4735,-.5203;-5.3413,.8327,.2848;-1.6429,.4174,.0254;.5454,-.3361,.0941;1.092,.9538,-.0552;-1.171,1.7438,-.1696;.172,2.0073,-.1943;.8931,-2.7957,.3079;2.549,1.2176,-.0969;2.7513,-1.1878,.2148;3.3706,.0287,.1047;.6454,-3.4197,-1.0632;4.9076,.0242,.2277;-6.6956,-.6881,-.1907;-5.8745,-.9731,1.1945;-2.6918,-1.8682,-.5755;-3.3152,-1.7163,1.0619;-3.8999,.6118,1.8844;-3.6324,1.9806,.8011;-5.1193,-2.5073,-.4394;-4.8341,-1.1562,-1.5631;-5.4023,1.211,-.7363;-6.0519,1.3676,.9151;.5415,3.0142,-.3504;1.634,-3.3725,.8669;-.0256,-2.7732,.8939;3.3722,-2.0714,.3074;.2544,-4.4344,-.9397;-.0828,-2.8368,-1.6337;1.5725,-3.4793,-1.6422;</scalar>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5619031 0.1353131 0.1118563</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.046904" y3="1.377702" z3="0.897326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="0.529844" y3="3.013188" z3="-0.323684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="1.649582" y3="-3.371051" z3="0.872102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.01119" y3="-2.772423" z3="0.917874">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.384594" y3="-2.065794" z3="0.292554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="0.264094" y3="-4.443121" z3="-0.919903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-0.112195" y3="-2.849667" z3="-1.60058">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.552724" y3="-3.464582" z3="-1.643839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0702,2.7381,-.3436;2.9502,2.3845,-.2589;5.4778,1.1099,.4962;5.4671,-1.0884,-.0198;-3.0061,.1062,.0273;-5.7707,-.6066,.2248;1.4106,-1.4146,.2302;-.773,-.5949,.1528;-3.3867,-1.3072,.042;-3.9214,.9337,.8264;-4.7881,-1.4711,-.5311;-5.3352,.8382,.2722;-1.6422,.4047,.034;.5473,-.3396,.1096;1.0888,.9531,-.036;-1.1769,1.7331,-.1548;.1648,2.0031,-.1753;.9012,-2.7962,.322;2.5455,1.2241,-.0675;2.7585,-1.1847,.2109;3.3742,.0336,.1014;.6367,-3.422,-1.0468;4.9152,.0285,.1914;-6.6956,-.6742,-.2094;-5.8831,-.9646,1.1796;-2.6968,-1.875,-.5809;-3.3299,-1.7319,1.056;-3.9045,.6195,1.8822;-3.6191,1.9773,.7864;-5.1319,-2.5027,-.4538;-4.8308,-1.1479,-1.572;-5.3854,1.2126,-.7508;-6.0469,1.3777,.8973;.5298,3.0132,-.3237;1.6496,-3.3711,.8721;-.0112,-2.7724,.9179;3.3846,-2.0658,.2926;.2641,-4.4431,-.9199;-.1122,-2.8497,-1.6006;1.5527,-3.4646,-1.6438;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5639067 0.1351307 0.1117088</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.059588" y3="2.752051" z3="-0.360313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.955734" y3="2.385653" z3="-0.259062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.488017" y3="1.103077" z3="0.470966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.463293" y3="-1.101327" z3="-0.018494">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004438" y3="0.1142" z3="0.034067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.765173" y3="-0.619225" z3="0.216546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.407207" y3="-1.409637" z3="0.232654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.774435" y3="-0.583971" z3="0.156707">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.375952" y3="-1.30114" z3="0.026347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.925584" y3="0.923584" z3="0.8445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.775797" y3="-1.465538" z3="-0.551492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.33828" y3="0.827673" z3="0.287328">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.641844" y3="0.417366" z3="0.037714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.546344" y3="-0.332788" z3="0.109009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.091538" y3="0.957594" z3="-0.041367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.172358" y3="1.743828" z3="-0.15953">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.170142" y3="2.009513" z3="-0.183436">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.893159" y3="-2.789095" z3="0.335697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="2.549298" y3="1.22455" z3="-0.076295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="2.755592" y3="-1.183773" z3="0.210878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="3.374944" y3="0.032169" z3="0.09457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.916731" y3="0.021086" z3="0.180459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              </property>
                           </atom>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="-5.113411" y3="-2.500284" z3="-0.490314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.819524" y3="-1.125395" z3="-1.586778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.388884" y3="1.216665" z3="-0.730074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.054572" y3="1.352272" z3="0.919841">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="0.53794" y3="3.017644" z3="-0.338551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="1.643247" y3="-3.362509" z3="0.884559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.01562" y3="-2.758275" z3="0.936804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.380312" y3="-2.065447" z3="0.297607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a38" x3="0.244415" y3="-4.442241" z3="-0.892904">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-0.134159" y3="-2.852221" z3="-1.579178">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="1.529589" y3="-3.469814" z3="-1.631228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0596,2.7521,-.3603;2.9557,2.3857,-.2591;5.488,1.1031,.471;5.4633,-1.1013,-.0185;-3.0044,.1142,.0341;-5.7652,-.6192,.2165;1.4072,-1.4096,.2327;-.7744,-.584,.1567;-3.376,-1.3011,.0263;-3.9256,.9236,.8445;-4.7758,-1.4655,-.5515;-5.3383,.8277,.2873;-1.6418,.4174,.0377;.5463,-.3328,.109;1.0915,.9576,-.0414;-1.1724,1.7438,-.1595;.1701,2.0095,-.1834;.8932,-2.7891,.3357;2.5493,1.2246,-.0763;2.7556,-1.1838,.2109;3.3749,.0322,.0946;.6181,-3.4226,-1.028;4.9167,.0211,.1805;-6.6884,-.6853,-.2212;-5.8784,-.9928,1.1652;-2.6813,-1.8534,-.6056;-3.318,-1.7418,1.0331;-3.9079,.5931,1.8949;-3.6312,1.9695,.8209;-5.1134,-2.5003,-.4903;-4.8195,-1.1254,-1.5868;-5.3889,1.2167,-.7301;-6.0546,1.3523,.9198;.5379,3.0176,-.3386;1.6432,-3.3625,.8846;-.0156,-2.7583,.9368;3.3803,-2.0654,.2976;.2444,-4.4422,-.8929;-.1342,-2.8522,-1.5792;1.5296,-3.4698,-1.6312;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5630856 0.1352051 0.1117494</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.062833" y3="2.748946" z3="-0.357046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.951709" y3="2.387713" z3="-0.262612">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.490029" y3="1.103617" z3="0.460443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.459892" y3="-1.103703" z3="-0.011337">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004839" y3="0.112258" z3="0.038965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.767168" y3="-0.615472" z3="0.21339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.409383" y3="-1.410062" z3="0.230639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.773804" y3="-0.58589" z3="0.15665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.378478" y3="-1.302163" z3="0.027343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.92598" y3="0.922391" z3="0.84802">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.77746" y3="-1.46289" z3="-0.553769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.337756" y3="0.830836" z3="0.287617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642569" y3="0.415104" z3="0.040427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.546838" y3="-0.334002" z3="0.107044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.090769" y3="0.956921" z3="-0.043442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.174045" y3="1.741723" z3="-0.15741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.168283" y3="2.008219" z3="-0.183796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.898061" y3="-2.790544" z3="0.336185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="3.37499" y3="0.034469" z3="0.093484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-3.62916" y3="1.96771" z3="0.826996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-5.117425" y3="-2.496862" z3="-0.494336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.818089" y3="-1.121653" z3="-1.588842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.38564" y3="1.222088" z3="-0.729049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.054636" y3="1.354932" z3="0.919785">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="0.535027" y3="3.016724" z3="-0.338714">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="1.650544" y3="-3.36257" z3="0.883262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.009508" y3="-2.761543" z3="0.939163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.383162" y3="-2.062864" z3="0.297831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="0.250827" y3="-4.445339" z3="-0.889369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-0.132975" y3="-2.85652" z3="-1.5761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.532379" y3="-3.470279" z3="-1.631183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0628,2.7489,-.357;2.9517,2.3877,-.2626;5.49,1.1036,.4604;5.4599,-1.1037,-.0113;-3.0048,.1123,.039;-5.7672,-.6155,.2134;1.4094,-1.4101,.2306;-.7738,-.5859,.1567;-3.3785,-1.3022,.0273;-3.926,.9224,.848;-4.7775,-1.4629,-.5538;-5.3378,.8308,.2876;-1.6426,.4151,.0404;.5468,-.334,.107;1.0908,.9569,-.0434;-1.174,1.7417,-.1574;.1683,2.0082,-.1838;.8981,-2.7905,.3362;2.5482,1.226,-.0778;2.757,-1.1823,.2102;3.375,.0345,.0935;.6218,-3.4249,-1.0264;4.9166,.0218,.1797;-6.6894,-.6791,-.227;-5.8839,-.9903,1.1611;-2.6837,-1.854,-.6046;-3.3231,-1.7456,1.033;-3.9121,.5902,1.8981;-3.6292,1.9677,.827;-5.1174,-2.4969,-.4943;-4.8181,-1.1217,-1.5888;-5.3856,1.2221,-.729;-6.0546,1.3549,.9198;.535,3.0167,-.3387;1.6505,-3.3626,.8833;-.0095,-2.7615,.9392;3.3832,-2.0629,.2978;.2508,-4.4453,-.8894;-.133,-2.8565,-1.5761;1.5324,-3.4703,-1.6312;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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6.636871 2.907789 4.268325 6.183194 6.424280 5.113151 4.996020 6.703956 7.683218 6.039234 3.079852 2.520082 4.062601 1.772921 0.000000 7.295734 6.180902 6.399876 4.863121 6.017500 8.052066 2.779569 4.102990 5.618536 7.432071 6.708540 8.329474 5.288741 3.718730 4.723985 6.054890 5.828347 2.175990 5.049709 3.182031 4.318906 1.094101 5.189124 8.795437 8.303501 4.630533 5.800712 7.654149 7.890238 6.816147 6.770988 8.407802 9.346277 6.689274 2.519523 3.080000 3.021144 1.772965 1.775708 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5631394 0.1351795 0.1117279</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.065462" y3="2.74581" z3="-0.353384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.949565" y3="2.389671" z3="-0.265677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.493307" y3="1.107568" z3="0.438384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.457721" y3="-1.107241" z3="0.005818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.00395" y3="0.10921" z3="0.046089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.767745" y3="-0.612449" z3="0.207478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411042" y3="-1.409745" z3="0.228758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772691" y3="-0.587802" z3="0.15798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.379206" y3="-1.30428" z3="0.02978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.925852" y3="0.919236" z3="0.853329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.776511" y3="-1.461575" z3="-0.556579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.335616" y3="0.833165" z3="0.286924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642519" y3="0.412736" z3="0.043666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.54738" y3="-0.334304" z3="0.10676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.090427" y3="0.956751" z3="-0.045019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.175094" y3="1.739623" z3="-0.15495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.166964" y3="2.007341" z3="-0.183927">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.900653" y3="-2.790526" z3="0.33674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="2.547753" y3="1.227427" z3="-0.080192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="2.75792" y3="-1.180471" z3="0.209481">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="3.375435" y3="0.036847" z3="0.091539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.61916" y3="-3.425073" z3="-1.024514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.917198" y3="0.023021" z3="0.177606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a24" x3="-6.687906" y3="-0.673282" z3="-0.237695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a25" x3="-5.89013" y3="-0.988579" z3="1.154026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a26" x3="-2.683237" y3="-1.855567" z3="-0.601181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a27" x3="-3.327789" y3="-1.750618" z3="1.034399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-3.918128" y3="0.583121" z3="1.902326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-3.626084" y3="1.963815" z3="0.837582">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="-5.119025" y3="-2.494738" z3="-0.499032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.812333" y3="-1.119638" z3="-1.591623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.378859" y3="1.227493" z3="-0.728755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.053838" y3="1.356718" z3="0.917937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="0.532594" y3="3.016078" z3="-0.339653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="1.655666" y3="-3.362344" z3="0.880561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.004459" y3="-2.76183" z3="0.943503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="3.385615" y3="-2.059815" z3="0.297747">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="0.25028" y3="-4.445963" z3="-0.88558">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-0.13879" y3="-2.857706" z3="-1.570922">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="1.527305" y3="-3.469105" z3="-1.633109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0655,2.7458,-.3534;2.9496,2.3897,-.2657;5.4933,1.1076,.4384;5.4577,-1.1072,.0058;-3.004,.1092,.0461;-5.7677,-.6124,.2075;1.411,-1.4097,.2288;-.7727,-.5878,.158;-3.3792,-1.3043,.0298;-3.9259,.9192,.8533;-4.7765,-1.4616,-.5566;-5.3356,.8332,.2869;-1.6425,.4127,.0437;.5474,-.3343,.1068;1.0904,.9568,-.045;-1.1751,1.7396,-.155;.167,2.0073,-.1839;.9007,-2.7905,.3367;2.5478,1.2274,-.0802;2.7579,-1.1805,.2095;3.3754,.0368,.0915;.6192,-3.4251,-1.0245;4.9172,.023,.1776;-6.6879,-.6733,-.2377;-5.8901,-.9886,1.154;-2.6832,-1.8556,-.6012;-3.3278,-1.7506,1.0344;-3.9181,.5831,1.9023;-3.6261,1.9638,.8376;-5.119,-2.4947,-.499;-4.8123,-1.1196,-1.5916;-5.3789,1.2275,-.7288;-6.0538,1.3567,.9179;.5326,3.0161,-.3397;1.6557,-3.3623,.8806;-.0045,-2.7618,.9435;3.3856,-2.0598,.2977;.2503,-4.446,-.8856;-.1388,-2.8577,-1.5709;1.5273,-3.4691,-1.6331;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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6.633015 2.901532 4.264160 6.179493 6.419437 5.107194 4.986312 6.697493 7.677472 6.038884 3.079692 2.519835 4.068167 1.773028 0.000000 7.291834 6.182067 6.400485 4.869564 6.013012 8.047732 2.778674 4.098767 5.614759 7.428111 6.702775 8.324406 5.284699 3.716770 4.722404 6.051344 5.825986 2.175654 5.050771 3.185498 4.322233 1.094099 5.192785 8.789397 8.302980 4.625693 5.800064 7.653272 7.885325 6.812431 6.761118 8.400654 9.341848 6.687307 2.519208 3.079849 3.027807 1.773088 1.775824 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5633896 0.1351843 0.1117292</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.068051" y3="2.742963" z3="-0.34973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.946686" y3="2.391218" z3="-0.271147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.496522" y3="1.112496" z3="0.416996">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.456252" y3="-1.110212" z3="0.029842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.003409" y3="0.10635" z3="0.053324">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.768841" y3="-0.60889" z3="0.202408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.41281" y3="-1.409776" z3="0.225857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.771828" y3="-0.589801" z3="0.158264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.380524" y3="-1.306179" z3="0.032634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.925873" y3="0.916245" z3="0.859081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.776367" y3="-1.459856" z3="-0.558528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.333719" y3="0.83581" z3="0.287005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.547798" y3="-0.335094" z3="0.104487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089867" y3="0.956179" z3="-0.04801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.165468" y3="2.006166" z3="-0.185152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="0.903638" y3="-2.790934" z3="0.335976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="2.547093" y3="1.228424" z3="-0.084303">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                              <property dictRef="g:atomicType">
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                           </atom>
                           <atom elementType="H" id="a27" x3="-3.332865" y3="-1.75499" z3="1.036323">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a28" x3="-3.923883" y3="0.575935" z3="1.906839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-3.623037" y3="1.959993" z3="0.848807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-5.121644" y3="-2.492158" z3="-0.502742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.807659" y3="-1.117215" z3="-1.593496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.372315" y3="1.233019" z3="-0.727718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.053148" y3="1.359045" z3="0.916872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="0.530074" y3="3.015152" z3="-0.341536">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="1.660966" y3="-3.362124" z3="0.877219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="0.000552" y3="-2.762775" z3="0.945834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="3.3884" y3="-2.05665" z3="0.299714">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a38" x3="0.251318" y3="-4.447396" z3="-0.883585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a39" x3="-0.142406" y3="-2.85987" z3="-1.56804">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.524399" y3="-3.468863" z3="-1.635756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0681,2.743,-.3497;2.9467,2.3912,-.2711;5.4965,1.1125,.417;5.4563,-1.1102,.0298;-3.0034,.1064,.0533;-5.7688,-.6089,.2024;1.4128,-1.4098,.2259;-.7718,-.5898,.1583;-3.3805,-1.3062,.0326;-3.9259,.9162,.8591;-4.7764,-1.4599,-.5585;-5.3337,.8358,.287;-1.6427,.4104,.0466;.5478,-.3351,.1045;1.0899,.9562,-.048;-1.1763,1.7375,-.1531;.1655,2.0062,-.1852;.9036,-2.7909,.336;2.5471,1.2284,-.0843;2.759,-1.1788,.2088;3.3759,.0391,.0898;.6182,-3.426,-1.0241;4.9178,.0246,.1782;-6.6869,-.6667,-.2475;-5.8971,-.9861,1.1477;-2.6835,-1.8572,-.5974;-3.3329,-1.755,1.0363;-3.9239,.5759,1.9068;-3.623,1.96,.8488;-5.1216,-2.4922,-.5027;-4.8077,-1.1172,-1.5935;-5.3723,1.233,-.7277;-6.0531,1.359,.9169;.5301,3.0152,-.3415;1.661,-3.3621,.8772;.0006,-2.7628,.9458;3.3884,-2.0566,.2997;.2513,-4.4474,-.8836;-.1424,-2.8599,-1.568;1.5244,-3.4689,-1.6358;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5635072 0.1351685 0.1117174</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.068895" y3="2.741717" z3="-0.348163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945629" y3="2.390995" z3="-0.27519">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.497048" y3="1.1162" z3="0.406688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.456575" y3="-1.110965" z3="0.047066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.003239" y3="0.105089" z3="0.056027">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769452" y3="-0.607112" z3="0.201047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.413405" y3="-1.410198" z3="0.224546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.771567" y3="-0.590885" z3="0.158175">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381341" y3="-1.307076" z3="0.035379">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.92589" y3="0.915601" z3="0.860723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.776612" y3="-1.459771" z3="-0.557511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.332931" y3="0.837139" z3="0.286376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642708" y3="0.409276" z3="0.047499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.547927" y3="-0.335779" z3="0.103463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089622" y3="0.955554" z3="-0.049285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.176745" y3="1.736429" z3="-0.152556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.164955" y3="2.00538" z3="-0.185725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.904642" y3="-2.791525" z3="0.333949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="2.546802" y3="1.228177" z3="-0.086822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="C" id="a20" x3="2.759436" y3="-1.178518" z3="0.209066">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="3.376155" y3="0.039504" z3="0.089663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="0.618426" y3="-3.425706" z3="-1.026473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="4.918087" y3="0.02569" z3="0.180646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a24" x3="-6.686621" y3="-0.664083" z3="-0.250832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a25" x3="-5.900129" y3="-0.983757" z3="1.146291">
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                           <atom elementType="H" id="a27" x3="-3.335281" y3="-1.755382" z3="1.039396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.926186" y3="0.574021" z3="1.908106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-3.621623" y3="1.958919" z3="0.852329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-5.123136" y3="-2.491647" z3="-0.501366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.806008" y3="-1.118066" z3="-1.592859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-5.369508" y3="1.234592" z3="-0.728322">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.052749" y3="1.361133" z3="0.915188">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="0.529272" y3="3.014407" z3="-0.342489">
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                           <atom elementType="H" id="a35" x3="1.662466" y3="-3.362949" z3="0.874254">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="0.002004" y3="-2.764023" z3="0.944521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="3.389428" y3="-2.05572" z3="0.302059">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="0.252991" y3="-4.447702" z3="-0.886552">
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                           <atom elementType="H" id="a39" x3="-0.143458" y3="-2.86005" z3="-1.569117">
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                           <atom elementType="H" id="a40" x3="1.523964" y3="-3.466883" z3="-1.639152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0689,2.7417,-.3482;2.9456,2.391,-.2752;5.497,1.1162,.4067;5.4566,-1.111,.0471;-3.0032,.1051,.056;-5.7695,-.6071,.201;1.4134,-1.4102,.2245;-.7716,-.5909,.1582;-3.3813,-1.3071,.0354;-3.9259,.9156,.8607;-4.7766,-1.4598,-.5575;-5.3329,.8371,.2864;-1.6427,.4093,.0475;.5479,-.3358,.1035;1.0896,.9556,-.0493;-1.1767,1.7364,-.1526;.165,2.0054,-.1857;.9046,-2.7915,.3339;2.5468,1.2282,-.0868;2.7594,-1.1785,.2091;3.3762,.0395,.0897;.6184,-3.4257,-1.0265;4.9181,.0257,.1806;-6.6866,-.6641,-.2508;-5.9001,-.9838,1.1463;-2.684,-1.859,-.5934;-3.3353,-1.7554,1.0394;-3.9262,.574,1.9081;-3.6216,1.9589,.8523;-5.1231,-2.4916,-.5014;-4.806,-1.1181,-1.5929;-5.3695,1.2346,-.7283;-6.0527,1.3611,.9152;.5293,3.0144,-.3425;1.6625,-3.3629,.8743;.002,-2.764,.9445;3.3894,-2.0557,.3021;.253,-4.4477,-.8866;-.1435,-2.8601,-1.5691;1.524,-3.4669,-1.6392;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5635531 0.1351563 0.1117110</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.068115" y3="2.742064" z3="-0.348906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.946026" y3="2.3888" z3="-0.279836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.495958" y3="1.119516" z3="0.401426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.457669" y3="-1.111485" z3="0.065792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.003516" y3="0.105372" z3="0.054581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769667" y3="-0.606937" z3="0.203636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.412707" y3="-1.410971" z3="0.224851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772053" y3="-0.591148" z3="0.15725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381747" y3="-1.30697" z3="0.037809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.925786" y3="0.916896" z3="0.859123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.777453" y3="-1.46096" z3="-0.553651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642688" y3="0.409213" z3="0.046233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.54761" y3="-0.336449" z3="0.102969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089562" y3="0.954736" z3="-0.049588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.176487" y3="1.736335" z3="-0.153595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.165266" y3="2.004841" z3="-0.186384">
                              <property dictRef="g:atomicType">
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                           <atom elementType="C" id="a18" x3="0.903531" y3="-2.792272" z3="0.330211">
                              <property dictRef="g:atomicType">
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                              <property dictRef="g:atomicType">
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                           <atom elementType="H" id="a24" x3="-6.687213" y3="-0.664904" z3="-0.247325">
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                           <atom elementType="H" id="a26" x3="-2.684731" y3="-1.8608" z3="-0.589796">
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                           <atom elementType="H" id="a27" x3="-3.335053" y3="-1.75228" z3="1.04317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.924958" y3="0.57636" z3="1.906815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-3.621523" y3="1.960154" z3="0.849563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="-5.12388" y3="-2.49281" z3="-0.495423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a31" x3="-4.807646" y3="-1.121335" z3="-1.589672">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a32" x3="-5.370099" y3="1.232536" z3="-0.729798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.052532" y3="1.362873" z3="0.91367">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="0.530071" y3="3.013677" z3="-0.343333">
                              <property dictRef="g:atomicType">
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                           <atom elementType="H" id="a35" x3="1.659777" y3="-3.364853" z3="0.871483">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-0.000624" y3="-2.76573" z3="0.93858">
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                           <atom elementType="H" id="a37" x3="3.388715" y3="-2.056557" z3="0.307622">
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                           <atom elementType="H" id="a38" x3="0.25807" y3="-4.447358" z3="-0.895725">
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                           <atom elementType="H" id="a39" x3="-0.14256" y3="-2.859067" z3="-1.574288">
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                           <atom elementType="H" id="a40" x3="1.526613" y3="-3.460608" z3="-1.644279">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0681,2.7421,-.3489;2.946,2.3888,-.2798;5.496,1.1195,.4014;5.4577,-1.1115,.0658;-3.0035,.1054,.0546;-5.7697,-.6069,.2036;1.4127,-1.411,.2249;-.7721,-.5911,.1573;-3.3817,-1.307,.0378;-3.9258,.9169,.8591;-4.7775,-1.461,-.5537;-5.3331,.8372,.2857;-1.6427,.4092,.0462;.5476,-.3364,.103;1.0896,.9547,-.0496;-1.1765,1.7363,-.1536;.1653,2.0048,-.1864;.9035,-2.7923,.3302;2.5468,1.2266,-.0886;2.759,-1.1795,.2111;3.3761,.0382,.0915;.6204,-3.4238,-1.0322;4.9179,.0259,.1861;-6.6872,-.6649,-.2473;-5.8995,-.9815,1.1498;-2.6847,-1.8608,-.5898;-3.3351,-1.7523,1.0432;-3.925,.5764,1.9068;-3.6215,1.9602,.8496;-5.1239,-2.4928,-.4954;-4.8076,-1.1213,-1.5897;-5.3701,1.2325,-.7298;-6.0525,1.3629,.9137;.5301,3.0137,-.3433;1.6598,-3.3649,.8715;-.0006,-2.7657,.9386;3.3887,-2.0566,.3076;.2581,-4.4474,-.8957;-.1426,-2.8591,-1.5743;1.5266,-3.4606,-1.6443;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5635309 0.1351473 0.1117110</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067828" y3="2.742257" z3="-0.349154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945944" y3="2.387948" z3="-0.282458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.496505" y3="1.12067" z3="0.395701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.45766" y3="-1.112607" z3="0.07646">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.003721" y3="0.105544" z3="0.054139">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769846" y3="-0.606946" z3="0.204523">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.412461" y3="-1.411199" z3="0.225309">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772286" y3="-0.591161" z3="0.157203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381965" y3="-1.30689" z3="0.03843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.925878" y3="0.917216" z3="0.858869">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.777832" y3="-1.461219" z3="-0.552546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.64276" y3="0.409255" z3="0.046028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.547463" y3="-0.336661" z3="0.103051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089515" y3="0.954422" z3="-0.049744">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.176436" y3="1.736343" z3="-0.153847">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.165342" y3="2.004623" z3="-0.186696">
                              <property dictRef="g:atomicType">
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                           <atom elementType="C" id="a18" x3="0.903261" y3="-2.792558" z3="0.328899">
                              <property dictRef="g:atomicType">
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                              <property dictRef="g:atomicType">
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                           <atom elementType="C" id="a23" x3="4.917897" y3="0.025601" z3="0.188044">
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                           <atom elementType="H" id="a24" x3="-6.687507" y3="-0.665148" z3="-0.246153">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a25" x3="-5.899489" y3="-0.980992" z3="1.150937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a26" x3="-2.685089" y3="-1.861198" z3="-0.588936">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a27" x3="-3.33501" y3="-1.751373" z3="1.044152">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.924558" y3="0.576848" z3="1.906595">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-3.621708" y3="1.960482" z3="0.849043">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-5.124191" y3="-2.493087" z3="-0.493857">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.808333" y3="-1.122038" z3="-1.588701">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.370384" y3="1.231938" z3="-0.729906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.052621" y3="1.363257" z3="0.913548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="0.530334" y3="3.01336" z3="-0.343908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="1.658995" y3="-3.365599" z3="0.870392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-0.001458" y3="-2.766584" z3="0.936441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="3.38849" y3="-2.056695" z3="0.31048">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="0.260201" y3="-4.446991" z3="-0.899443">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a39" x3="-0.142041" y3="-2.85834" z3="-1.576154">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a40" x3="1.527822" y3="-3.45781" z3="-1.646238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0678,2.7423,-.3492;2.9459,2.3879,-.2825;5.4965,1.1207,.3957;5.4577,-1.1126,.0765;-3.0037,.1055,.0541;-5.7698,-.6069,.2045;1.4125,-1.4112,.2253;-.7723,-.5912,.1572;-3.382,-1.3069,.0384;-3.9259,.9172,.8589;-4.7778,-1.4612,-.5525;-5.3333,.8372,.2858;-1.6428,.4093,.046;.5475,-.3367,.1031;1.0895,.9544,-.0497;-1.1764,1.7363,-.1538;.1653,2.0046,-.1867;.9033,-2.7926,.3289;2.5468,1.226,-.0897;2.7589,-1.1798,.2123;3.3761,.0377,.0921;.6214,-3.4228,-1.0344;4.9179,.0256,.188;-6.6875,-.6651,-.2462;-5.8995,-.981,1.1509;-2.6851,-1.8612,-.5889;-3.335,-1.7514,1.0442;-3.9246,.5768,1.9066;-3.6217,1.9605,.849;-5.1242,-2.4931,-.4939;-4.8083,-1.122,-1.5887;-5.3704,1.2319,-.7299;-6.0526,1.3633,.9135;.5303,3.0134,-.3439;1.659,-3.3656,.8704;-.0015,-2.7666,.9364;3.3885,-2.0567,.3105;.2602,-4.447,-.8994;-.142,-2.8583,-1.5762;1.5278,-3.4578,-1.6462;</scalar>
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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6.641510 2.904476 4.276263 6.183647 6.419557 5.111418 4.978873 6.691941 7.678245 6.037166 3.080037 2.518196 4.082484 1.773006 0.000000 7.283678 6.167970 6.393938 4.889918 6.010296 8.050385 2.775719 4.093967 5.618769 7.426928 6.704014 8.321940 5.279257 3.709810 4.712611 6.043134 5.815908 2.175730 5.039762 3.187317 4.319365 1.094140 5.195320 8.789245 8.314070 4.627708 5.813541 7.656993 7.880481 6.819673 6.753221 8.391582 9.341216 6.675858 2.521732 3.080052 3.042031 1.772863 1.775590 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5635324 0.1351372 0.1117071</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067379" y3="2.743108" z3="-0.34955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.946162" y3="2.38789" z3="-0.281667">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.497647" y3="1.119351" z3="0.392143">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.45666" y3="-1.114336" z3="0.076246">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.003994" y3="0.106413" z3="0.05224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769594" y3="-0.60805" z3="0.205509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411958" y3="-1.410917" z3="0.226666">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772612" y3="-0.590518" z3="0.157298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381625" y3="-1.30628" z3="0.036226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.925878" y3="0.917378" z3="0.858241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.777947" y3="-1.460996" z3="-0.553489">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.333909" y3="0.836301" z3="0.286863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642861" y3="0.409967" z3="0.045521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.547229" y3="-0.336283" z3="0.103723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089541" y3="0.954699" z3="-0.049074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.17627" y3="1.73702" z3="-0.153969">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.165579" y3="2.005052" z3="-0.186299">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="0.902576" y3="-2.792247" z3="0.329884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="2.546888" y3="1.225983" z3="-0.088997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="2.758432" y3="-1.179823" z3="0.213192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                           <atom elementType="H" id="a29" x3="-3.622608" y3="1.960919" z3="0.847583">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-5.123515" y3="-2.493157" z3="-0.495339">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-4.809771" y3="-1.12088" z3="-1.589288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-5.372375" y3="1.231332" z3="-0.728715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.052887" y3="1.361704" z3="0.915548">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="0.530791" y3="3.013735" z3="-0.343376">
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                           <atom elementType="H" id="a35" x3="1.657763" y3="-3.365297" z3="0.872126">
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                           <atom elementType="H" id="a36" x3="-0.002763" y3="-2.766203" z3="0.936484">
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                           <atom elementType="H" id="a37" x3="3.387824" y3="-2.056905" z3="0.31165">
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                           <atom elementType="H" id="a38" x3="0.260401" y3="-4.446567" z3="-0.899036">
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                           <atom elementType="H" id="a40" x3="1.529067" y3="-3.457705" z3="-1.644563">
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                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7431,-.3496;2.9462,2.3879,-.2817;5.4976,1.1194,.3921;5.4567,-1.1143,.0762;-3.004,.1064,.0522;-5.7696,-.608,.2055;1.412,-1.4109,.2267;-.7726,-.5905,.1573;-3.3816,-1.3063,.0362;-3.9259,.9174,.8582;-4.7779,-1.461,-.5535;-5.3339,.8363,.2869;-1.6429,.41,.0455;.5472,-.3363,.1037;1.0895,.9547,-.0491;-1.1763,1.737,-.154;.1656,2.0051,-.1863;.9026,-2.7922,.3299;2.5469,1.226,-.089;2.7584,-1.1798,.2132;3.376,.0374,.0924;.622,-3.4225,-1.0337;4.9179,.0245,.1869;-6.6879,-.6666,-.2438;-5.8975,-.9828,1.1519;-2.6851,-1.8598,-.5922;-3.3335,-1.7513,1.0416;-3.9228,.5773,1.906;-3.6226,1.9609,.8476;-5.1235,-2.4932,-.4953;-4.8098,-1.1209,-1.5893;-5.3724,1.2313,-.7287;-6.0529,1.3617,.9155;.5308,3.0137,-.3434;1.6578,-3.3653,.8721;-.0028,-2.7662,.9365;3.3878,-2.0569,.3116;.2604,-4.4466,-.899;-.1408,-2.8578,-1.5762;1.5291,-3.4577,-1.6446;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5635251 0.1351386 0.1117059</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067206" y3="2.743505" z3="-0.350729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945989" y3="2.387853" z3="-0.281794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a3" x3="5.498572" y3="1.11912" z3="0.38795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455848" y3="-1.115848" z3="0.08248">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004341" y3="0.107027" z3="0.050197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769504" y3="-0.608632" z3="0.207202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411583" y3="-1.410766" z3="0.22719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772952" y3="-0.59025" z3="0.156364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.778754" y3="-1.460421" z3="-0.554235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089439" y3="0.954737" z3="-0.049437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.165643" y3="2.005176" z3="-0.187089">
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                              <property dictRef="g:atomicType">
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                           <atom elementType="H" id="a31" x3="-4.812211" y3="-1.119233" z3="-1.589623">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0672,2.7435,-.3507;2.946,2.3879,-.2818;5.4986,1.1191,.388;5.4558,-1.1158,.0825;-3.0043,.107,.0502;-5.7695,-.6086,.2072;1.4116,-1.4108,.2272;-.773,-.5903,.1564;-3.3817,-1.3058,.0337;-3.9254,.9173,.858;-4.7788,-1.4604,-.5542;-5.3343,.8358,.2888;-1.643,.4103,.0441;.547,-.3361,.1034;1.0894,.9547,-.0494;-1.1763,1.7373,-.1551;.1656,2.0052,-.1871;.9022,-2.7921,.3301;2.5469,1.2259,-.089;2.7581,-1.1798,.2143;3.3758,.0374,.0931;.6231,-3.4226,-1.0337;4.9178,.0238,.1878;-6.6886,-.6672,-.2405;-5.8955,-.9843,1.1534;-2.6859,-1.8586,-.5962;-3.3321,-1.7517,1.0386;-3.9205,.5772,1.9057;-3.6227,1.961,.8469;-5.1238,-2.4928,-.4966;-4.8122,-1.1192,-1.5896;-5.3745,1.2315,-.7265;-6.0525,1.3605,.9189;.531,3.0138,-.344;1.6568,-3.365,.8733;-.0039,-2.766,.9357;3.3874,-2.0567,.3138;.2614,-4.4466,-.8993;-.139,-2.858,-1.5771;1.5309,-3.4578,-1.6435;</scalar>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634796 0.1351344 0.1117034</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067282" y3="2.74341" z3="-0.35127">
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                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945896" y3="2.388013" z3="-0.281445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455632" y3="-1.116087" z3="0.083663">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004417" y3="0.107184" z3="0.04946">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769386" y3="-0.608794" z3="0.207625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="1.411568" y3="-1.410708" z3="0.227206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772998" y3="-0.590233" z3="0.156137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381723" y3="-1.30565" z3="0.032413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="1.089397" y3="0.954778" z3="-0.049514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.165635" y3="2.005226" z3="-0.187263">
                              <property dictRef="g:atomicType">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-3.622534" y3="1.960918" z3="0.846838">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-5.124008" y3="-2.492441" z3="-0.497768">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-4.81307" y3="-1.118226" z3="-1.590113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-5.375321" y3="1.231809" z3="-0.72546">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.052242" y3="1.359997" z3="0.920443">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="0.531032" y3="3.013859" z3="-0.344209">
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                           <atom elementType="H" id="a35" x3="1.65679" y3="-3.364819" z3="0.873811">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-0.003875" y3="-2.765795" z3="0.93598">
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                           <atom elementType="H" id="a37" x3="3.387415" y3="-2.056583" z3="0.314106">
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                           <atom elementType="H" id="a38" x3="0.261164" y3="-4.446755" z3="-0.898474">
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                           <atom elementType="H" id="a39" x3="-0.138803" y3="-2.858231" z3="-1.576815">
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                           <atom elementType="H" id="a40" x3="1.531008" y3="-3.458506" z3="-1.642886">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0673,2.7434,-.3513;2.9459,2.388,-.2814;5.4988,1.1192,.3868;5.4556,-1.1161,.0837;-3.0044,.1072,.0495;-5.7694,-.6088,.2076;1.4116,-1.4107,.2272;-.773,-.5902,.1561;-3.3817,-1.3056,.0324;-3.9251,.9172,.858;-4.779,-1.46,-.555;-5.3343,.8357,.2896;-1.643,.4103,.0438;.5469,-.3361,.1034;1.0894,.9548,-.0495;-1.1763,1.7373,-.1554;.1656,2.0052,-.1873;.9022,-2.7921,.3305;2.5468,1.226,-.0889;2.758,-1.1797,.2144;3.3758,.0375,.0932;.6232,-3.4229,-1.0332;4.9178,.0238,.1879;-6.6888,-.6673,-.2393;-5.8945,-.985,1.1538;-2.6862,-1.8581,-.5981;-3.3317,-1.7521,1.0371;-3.9196,.5769,1.9057;-3.6225,1.9609,.8468;-5.124,-2.4924,-.4978;-4.8131,-1.1182,-1.5901;-5.3753,1.2318,-.7255;-6.0522,1.36,.9204;.531,3.0139,-.3442;1.6568,-3.3648,.8738;-.0039,-2.7658,.936;3.3874,-2.0566,.3141;.2612,-4.4468,-.8985;-.1388,-2.8582,-1.5768;1.531,-3.4585,-1.6429;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634712 0.1351348 0.1117035</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.06738" y3="2.743269" z3="-0.352085">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945816" y3="2.388151" z3="-0.281191">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.498687" y3="1.119454" z3="0.38685">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455572" y3="-1.116007" z3="0.085213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004481" y3="0.107267" z3="0.048593">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769264" y3="-0.608851" z3="0.208284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411562" y3="-1.410672" z3="0.226965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.773039" y3="-0.590294" z3="0.155439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381807" y3="-1.30554" z3="0.031089">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924691" y3="0.916918" z3="0.858006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.779464" y3="-1.459623" z3="-0.555528">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.334297" y3="0.83565" z3="0.290601">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.643041" y3="0.410302" z3="0.04294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.546866" y3="-0.336097" z3="0.102924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089343" y3="0.954789" z3="-0.049871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-1.176294" y3="1.737263" z3="-0.156226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="0.902157" y3="-2.791995" z3="0.330654">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="2.546811" y3="1.226124" z3="-0.088827">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="2.757959" y3="-1.179547" z3="0.214596">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="3.37575" y3="0.037609" z3="0.093468">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="0.623224" y3="-3.423248" z3="-1.032809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="4.917777" y3="0.023988" z3="0.188576">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a24" x3="-6.689108" y3="-0.667298" z3="-0.237832">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a25" x3="-5.893424" y3="-0.985566" z3="1.154346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a26" x3="-2.686643" y3="-1.857736" z3="-0.600052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a27" x3="-3.331216" y3="-1.752516" z3="1.035511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a28" x3="-3.918467" y3="0.576328" z3="1.905622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="-3.622109" y3="1.960699" z3="0.846993">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="-5.124397" y3="-2.492056" z3="-0.498712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="-4.814189" y3="-1.117202" z3="-1.590462">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="-5.376123" y3="1.232233" z3="-0.724247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="-6.051757" y3="1.359573" z3="0.922232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="0.531034" y3="3.013868" z3="-0.344671">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="1.656752" y3="-3.364578" z3="0.874214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-0.003913" y3="-2.765533" z3="0.936129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="3.38744" y3="-2.056394" z3="0.314529">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a38" x3="0.261006" y3="-4.447024" z3="-0.897734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a39" x3="-0.138609" y3="-2.858683" z3="-1.576713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="1.531104" y3="-3.459277" z3="-1.642376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7433,-.3521;2.9458,2.3882,-.2812;5.4987,1.1195,.3869;5.4556,-1.116,.0852;-3.0045,.1073,.0486;-5.7693,-.6089,.2083;1.4116,-1.4107,.227;-.773,-.5903,.1554;-3.3818,-1.3055,.0311;-3.9247,.9169,.858;-4.7795,-1.4596,-.5555;-5.3343,.8357,.2906;-1.643,.4103,.0429;.5469,-.3361,.1029;1.0893,.9548,-.0499;-1.1763,1.7373,-.1562;.1656,2.0052,-.1878;.9022,-2.792,.3307;2.5468,1.2261,-.0888;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6232,-3.4232,-1.0328;4.9178,.024,.1886;-6.6891,-.6673,-.2378;-5.8934,-.9856,1.1543;-2.6866,-1.8577,-.6001;-3.3312,-1.7525,1.0355;-3.9185,.5763,1.9056;-3.6221,1.9607,.847;-5.1244,-2.4921,-.4987;-4.8142,-1.1172,-1.5905;-5.3761,1.2322,-.7242;-6.0518,1.3596,.9222;.531,3.0139,-.3447;1.6568,-3.3646,.8742;-.0039,-2.7655,.9361;3.3874,-2.0564,.3145;.261,-4.447,-.8977;-.1386,-2.8587,-1.5767;1.5311,-3.4593,-1.6424;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
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6.156479 3.221954 3.479514 5.237526 5.952861 5.324745 5.677976 6.899248 7.320731 5.943744 1.766493 0.000000 7.296314 4.505984 3.814263 2.283437 6.753430 9.271025 2.080558 4.414107 6.816659 7.912220 8.234771 9.188754 5.609286 3.327621 3.805425 5.953244 5.208583 2.591911 3.412371 1.084017 2.105671 3.365190 2.585688 10.186831 9.380107 6.145764 6.764059 7.927111 8.096563 8.561690 8.472177 9.417758 10.056668 5.856719 2.240508 3.520021 0.000000 7.577561 7.369393 7.750428 6.248630 5.683354 7.233188 3.436301 4.129502 4.899155 7.026704 5.869242 7.786284 5.301309 4.240608 5.530334 6.392267 6.491895 2.158503 6.169590 4.260100 5.549419 1.094333 6.546414 7.938885 7.353213 3.934675 4.888954 7.110617 7.692956 5.743143 6.109435 8.003830 8.768114 7.486235 2.501918 2.502130 4.118165 0.000000 6.049937 6.222646 7.173581 6.090467 4.433024 6.320778 2.784425 2.923771 3.938986 5.875154 4.953556 6.643052 3.946246 3.107169 4.287386 4.921107 5.067471 2.173865 5.109886 3.797155 4.850643 1.093140 6.082194 7.035894 6.639665 2.906586 4.270838 6.181689 6.421493 5.114155 4.989388 6.700287 7.681388 6.037649 3.079983 2.518173 4.080869 1.773001 0.000000 7.285980 6.168197 6.389386 4.886403 6.012582 8.052654 2.775880 4.095397 5.619231 7.427563 6.708436 8.325655 5.281016 3.710667 4.713301 6.045054 5.817317 2.175703 5.039659 3.186014 4.317880 1.094127 5.191828 8.794303 8.310506 4.630417 5.807432 7.653249 7.882176 6.821963 6.763930 8.400179 9.343356 6.677259 2.521503 3.079975 3.040320 1.772930 1.775659 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634506 0.1351354 0.1117047</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.0674" y3="2.743198" z3="-0.352233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.94585" y3="2.388161" z3="-0.28117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.498561" y3="1.119539" z3="0.387398">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455678" y3="-1.115808" z3="0.084803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004459" y3="0.107271" z3="0.048473">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769194" y3="-0.608877" z3="0.208308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411592" y3="-1.410671" z3="0.226909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.773012" y3="-0.59031" z3="0.155419">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381788" y3="-1.305532" z3="0.030868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924615" y3="0.916862" z3="0.858004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.779472" y3="-1.459556" z3="-0.555699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.334263" y3="0.835629" z3="0.290699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.643003" y3="0.41029" z3="0.042902">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="0.54689" y3="-0.336094" z3="0.102908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="1.089353" y3="0.954798" z3="-0.04989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-4.814267" y3="-1.117008" z3="-1.590589">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3522;2.9459,2.3882,-.2812;5.4986,1.1195,.3874;5.4557,-1.1158,.0848;-3.0045,.1073,.0485;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0309;-3.9246,.9169,.858;-4.7795,-1.4596,-.5557;-5.3343,.8356,.2907;-1.643,.4103,.0429;.5469,-.3361,.1029;1.0894,.9548,-.0499;-1.1763,1.7372,-.1563;.1656,2.0052,-.1879;.9022,-2.792,.3307;2.5468,1.2261,-.0888;2.758,-1.1795,.2146;3.3758,.0376,.0935;.623,-3.4233,-1.0326;4.9178,.0241,.1886;-6.6891,-.6673,-.2377;-5.8932,-.9857,1.1544;-2.6866,-1.8577,-.6003;-3.3312,-1.7526,1.0353;-3.9183,.5762,1.9056;-3.622,1.9606,.8471;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0517,1.3595,.9224;.5311,3.0139,-.3447;1.6568,-3.3645,.8742;-.0038,-2.7655,.9364;3.3875,-2.0564,.3144;.2608,-4.4471,-.8974;-.1389,-2.8588,-1.5764;1.5308,-3.4594,-1.6423;</scalar>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634533 0.1351363 0.1117057</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.06741" y3="2.743164" z3="-0.352305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a2" x3="2.945866" y3="2.388145" z3="-0.281294">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.498485" y3="1.119614" z3="0.38776">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455733" y3="-1.115703" z3="0.084854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004444" y3="0.107252" z3="0.04844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769168" y3="-0.60887" z3="0.208338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411611" y3="-1.410675" z3="0.226863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772995" y3="-0.590329" z3="0.155357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381784" y3="-1.305546" z3="0.03082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924569" y3="0.916822" z3="0.858029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.779483" y3="-1.459538" z3="-0.555723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642983" y3="0.410267" z3="0.042829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                        <bondArray/>
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                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2813;5.4985,1.1196,.3878;5.4557,-1.1157,.0849;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4595,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6229,-3.4233,-1.0326;4.9178,.0242,.1888;-6.6891,-.6673,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3312,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.6219,1.9606,.8472;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3448;1.6569,-3.3645,.8741;-.0037,-2.7655,.9365;3.3875,-2.0564,.3145;.2606,-4.4471,-.8974;-.1391,-2.8588,-1.5764;1.5306,-3.4594,-1.6424;</scalar>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634539 0.1351366 0.1117064</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067403" y3="2.743167" z3="-0.352301">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455752" y3="-1.115688" z3="0.084808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004439" y3="0.107255" z3="0.048435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769159" y3="-0.608884" z3="0.208334">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411613" y3="-1.410674" z3="0.226884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772991" y3="-0.590324" z3="0.155372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381773" y3="-1.305547" z3="0.030817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924571" y3="0.916818" z3="0.858029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.77947" y3="-1.459544" z3="-0.55573">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.334229" y3="0.835618" z3="0.29074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-1.642976" y3="0.410271" z3="0.042837">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-5.12442" y3="-2.491981" z3="-0.499052">
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                           <atom elementType="H" id="a31" x3="-4.814282" y3="-1.116955" z3="-1.590606">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.051635" y3="1.359472" z3="0.922491">
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                           <atom elementType="H" id="a36" x3="-0.003695" y3="-2.765466" z3="0.936521">
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                           <atom elementType="H" id="a37" x3="3.387494" y3="-2.056377" z3="0.314492">
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                           <atom elementType="H" id="a40" x3="1.530509" y3="-3.459391" z3="-1.642435">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2813;5.4985,1.1196,.3878;5.4558,-1.1157,.0848;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4595,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6228,-3.4233,-1.0326;4.9178,.0242,.1888;-6.6891,-.6673,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3312,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.622,1.9606,.8472;-5.1244,-2.492,-.4991;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3449;1.6569,-3.3646,.8741;-.0037,-2.7655,.9365;3.3875,-2.0564,.3145;.2606,-4.447,-.8974;-.1391,-2.8587,-1.5763;1.5305,-3.4594,-1.6424;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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6.638718 2.905883 4.269955 6.180889 6.420973 5.113509 4.989069 6.699941 7.680799 6.037607 3.079985 2.518222 4.081190 1.772997 0.000000 7.285681 6.168416 6.390147 4.887110 6.012135 8.052073 2.775920 4.095090 5.618659 7.427074 6.707917 8.325196 5.280666 3.710581 4.713341 6.044817 5.817257 2.175707 5.039889 3.186384 4.318300 1.094129 5.192491 8.793819 8.309684 4.629852 5.806780 7.652634 7.881763 6.821385 6.763584 8.399862 9.342869 6.677239 2.521486 3.079988 3.040790 1.772921 1.775651 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634557 0.1351366 0.1117065</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067399" y3="2.743166" z3="-0.352313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945885" y3="2.388124" z3="-0.281376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.498469" y3="1.11961" z3="0.387894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455753" y3="-1.115681" z3="0.084796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004435" y3="0.107254" z3="0.048426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769152" y3="-0.608893" z3="0.208341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411617" y3="-1.410673" z3="0.226895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772986" y3="-0.590324" z3="0.155372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381766" y3="-1.30555" z3="0.030813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924566" y3="0.916815" z3="0.858025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.779465" y3="-1.459551" z3="-0.555728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.334225" y3="0.835611" z3="0.29074">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a27" x3="-3.33115" y3="-1.752617" z3="1.035201">
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                           <atom elementType="H" id="a28" x3="-3.918264" y3="0.576073" z3="1.905598">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="-3.621953" y3="1.96059" z3="0.847149">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-5.124413" y3="-2.491988" z3="-0.499049">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="-4.814281" y3="-1.116961" z3="-1.590603">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-5.376167" y3="1.232295" z3="-0.724065">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.051633" y3="1.359466" z3="0.922487">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="0.531069" y3="3.013853" z3="-0.344878">
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                           <atom elementType="H" id="a35" x3="1.656945" y3="-3.364572" z3="0.874053">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-0.003671" y3="-2.76548" z3="0.936554">
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                           <atom elementType="H" id="a37" x3="3.387498" y3="-2.056378" z3="0.314515">
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                           <atom elementType="H" id="a38" x3="0.26053" y3="-4.4470" z3="-0.897388">
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                           <atom elementType="H" id="a39" x3="-0.139193" y3="-2.858662" z3="-1.576301">
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                           <atom elementType="H" id="a40" x3="1.530452" y3="-3.459368" z3="-1.642461">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                        </atomArray>
                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2814;5.4985,1.1196,.3879;5.4558,-1.1157,.0848;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4596,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6228,-3.4232,-1.0326;4.9178,.0242,.1888;-6.6891,-.6673,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3312,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.622,1.9606,.8471;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3449;1.6569,-3.3646,.8741;-.0037,-2.7655,.9366;3.3875,-2.0564,.3145;.2605,-4.447,-.8974;-.1392,-2.8587,-1.5763;1.5305,-3.4594,-1.6425;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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6.638642 2.905809 4.269880 6.180810 6.420897 5.113447 4.989006 6.699860 7.680722 6.037556 3.079983 2.518231 4.081225 1.772997 0.000000 7.285632 6.168401 6.390191 4.887154 6.012078 8.052011 2.775925 4.095051 5.618599 7.427020 6.707854 8.325136 5.280616 3.710556 4.713318 6.044772 5.817222 2.175706 5.039882 3.186415 4.318320 1.094129 5.192533 8.793757 8.309622 4.629791 5.806724 7.652582 7.881712 6.821322 6.763519 8.399793 9.342812 6.677206 2.521474 3.079988 3.040848 1.772922 1.775651 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634569 0.1351367 0.1117067</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067398" y3="2.743167" z3="-0.352312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945885" y3="2.388124" z3="-0.281374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.498475" y3="1.119608" z3="0.387861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455753" y3="-1.115689" z3="0.084829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004436" y3="0.107255" z3="0.048426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769153" y3="-0.608895" z3="0.208344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411615" y3="-1.410673" z3="0.226898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772987" y3="-0.590323" z3="0.155372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381766" y3="-1.30555" z3="0.030815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924567" y3="0.916818" z3="0.858024">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="-4.779466" y3="-1.459553" z3="-0.555724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="-5.124411" y3="-2.49199" z3="-0.499043">
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                           <atom elementType="H" id="a31" x3="-4.814283" y3="-1.116965" z3="-1.5906">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="-5.37617" y3="1.232293" z3="-0.724065">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.051635" y3="1.359466" z3="0.922487">
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                           <atom elementType="H" id="a34" x3="0.531069" y3="3.013853" z3="-0.344877">
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                           <atom elementType="H" id="a35" x3="1.65694" y3="-3.364574" z3="0.874053">
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                           <atom elementType="H" id="a36" x3="-0.003677" y3="-2.765482" z3="0.936545">
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                           <atom elementType="H" id="a37" x3="3.387496" y3="-2.056378" z3="0.314525">
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                           <atom elementType="H" id="a40" x3="1.530462" y3="-3.459362" z3="-1.642462">
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                        <bondArray/>
                        <formula concise="C15H17FN4O3"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2814;5.4985,1.1196,.3879;5.4558,-1.1157,.0848;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4596,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6228,-3.4232,-1.0326;4.9178,.0242,.1888;-6.6891,-.6674,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3311,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.622,1.9606,.8471;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3449;1.6569,-3.3646,.8741;-.0037,-2.7655,.9365;3.3875,-2.0564,.3145;.2605,-4.447,-.8974;-.1392,-2.8587,-1.5763;1.5305,-3.4594,-1.6425;</scalar>
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                  <module cmlx:templateRef="l202.distmat">
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634569 0.1351367 0.1117067</array>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="F" id="a1" x3="-2.067398" y3="2.743167" z3="-0.352312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="2.945885" y3="2.388124" z3="-0.281374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.498475" y3="1.119608" z3="0.387861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.455753" y3="-1.115689" z3="0.084829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="-3.004436" y3="0.107255" z3="0.048426">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-5.769153" y3="-0.608895" z3="0.208344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="1.411615" y3="-1.410673" z3="0.226898">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a8" x3="-0.772987" y3="-0.590323" z3="0.155372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="-3.381766" y3="-1.30555" z3="0.030815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="-3.924567" y3="0.916818" z3="0.858024">
                              <property dictRef="g:atomicType">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="-6.051635" y3="1.359466" z3="0.922487">
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                        <bondArray/>
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                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">303.1839031999998</scalar>
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<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2814;5.4985,1.1196,.3879;5.4558,-1.1157,.0848;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4596,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6228,-3.4232,-1.0326;4.9178,.0242,.1888;-6.6891,-.6674,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3311,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.622,1.9606,.8471;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3449;1.6569,-3.3646,.8741;-.0037,-2.7655,.9365;3.3875,-2.0564,.3145;.2605,-4.447,-.8974;-.1392,-2.8587,-1.5763;1.5305,-3.4594,-1.6425;</scalar>
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                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
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               <module cmlx:templateRef="l716.forces">
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                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.018871574 -0.043188050 -0.012549921</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005453118 0.000170404 -0.022225740</array>
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                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.025260763 0.025585356 0.000383604</array>
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                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000388863 -0.001955850 -0.003481058</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.019249141 0.000109484 0.000129083</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.041508664 0.009979809 0.000436535</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.011989082 0.007245383 0.000598465</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010331148 -0.002246781 -0.009592513</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.014951830 -0.010577634 0.004338151</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.012392074 -0.023727323 0.002173857</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.034607224 0.011753374 -0.009491204</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002886313 -0.002095458 -0.006587596</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.022188300 0.123829289 0.037550459</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.017697169 -0.012378690 0.013352077</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.021857187 -0.012590391 0.012215073</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002402628 -0.014725913 0.007609379</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.009223107 -0.019516060 -0.006195209</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003973145 0.012426090 0.016361600</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002052668 -0.001980794 0.017036861</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003263909 0.002749264 -0.015679436</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007789600 -0.011444456 -0.008957380</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.011235953 0.010109981 0.005969491</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005187960 0.012619872 -0.008734435</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001927091 -0.004795262 0.000086933</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008657411 -0.000100962 0.013327091</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.007057945 -0.007615778 0.015511293</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.009749069 -0.005674389 -0.000376071</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001676940 -0.002962848 -0.002473356</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000396088 -0.001301844 -0.005257537</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001081828 -0.003634125 -0.003805656</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.123829289</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.018741995</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">3</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1126.39222755</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT49424.200S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-10-16T14:18:14.000</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="40">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="40">F O O O N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="40">-0.285387 -0.546708 -0.714895 -0.614562 -0.508692 -0.427217 -0.537382 -0.628623 -0.040973 -0.068104 -0.128732 -0.121494 0.432157 0.513477 0.012115 0.328136 -0.133532 -0.062448 0.330022 0.091603 -0.012952 -0.324134 0.412194 0.390604 0.368344 0.171387 0.138516 0.143606 0.172250 0.190740 0.186786 0.187162 0.190839 0.130492 0.127588 0.145953 0.132501 0.118481 0.121512 0.119367</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="79">-14.39598 -14.37870 -14.34410 -10.28497 -10.28241 -10.27421 -10.26668 -10.26629 -10.25170 -10.24735 -10.24368 -10.24240 -10.22979 -10.22843 -10.21323 -10.20060 -10.18163 -10.17166 -1.23127 -1.03495 -1.01112 -0.99536 -0.98157 -0.97913 -0.92569 -0.89400 -0.82493 -0.81377 -0.79451 -0.78598 -0.74670 -0.73725 -0.69602 -0.67136 -0.66042 -0.64432 -0.63253 -0.60030 -0.59524 -0.57904 -0.55924 -0.54245 -0.53084 -0.51565 -0.50945 -0.50177 -0.49214 -0.48790 -0.47771 -0.47347 -0.45941 -0.45303 -0.44197 -0.43272 -0.42789 -0.42536 -0.41839 -0.41270 -0.40353 -0.39981 -0.39126 -0.38716 -0.38512 -0.38054 -0.37720 -0.37216 -0.35815 -0.35563 -0.35121 -0.34186 -0.30000 -0.28931 -0.28118 -0.23637 -0.23112 -0.21150 -0.20841 -0.20201 -0.19031</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="346">-0.05006 -0.01885 0.00768 0.02927 0.06346 0.07514 0.08327 0.09405 0.09888 0.10955 0.11364 0.11553 0.12799 0.13324 0.13754 0.14036 0.14334 0.14695 0.15358 0.16342 0.16525 0.17275 0.17904 0.18185 0.18894 0.19785 0.20374 0.20566 0.21290 0.21970 0.23259 0.23868 0.23979 0.26114 0.26935 0.27848 0.29826 0.31351 0.34033 0.34832 0.37194 0.38087 0.39667 0.41699 0.44221 0.45370 0.46226 0.46854 0.47677 0.48407 0.48810 0.49871 0.50203 0.50507 0.51454 0.52614 0.53229 0.53678 0.54872 0.55082 0.55880 0.57291 0.57473 0.58424 0.59103 0.60783 0.61114 0.61510 0.62471 0.63320 0.63684 0.64003 0.64937 0.65344 0.66057 0.68262 0.69114 0.69891 0.70887 0.71781 0.72583 0.74217 0.74379 0.74751 0.75379 0.76491 0.77623 0.78240 0.78692 0.79259 0.79994 0.80969 0.81364 0.81520 0.81740 0.82962 0.83699 0.85389 0.85936 0.86719 0.87160 0.88288 0.88479 0.89082 0.89971 0.90553 0.91286 0.91721 0.92136 0.93688 0.95342 0.96382 0.97379 0.97853 0.99912 1.01059 1.01189 1.02064 1.02267 1.03642 1.03953 1.04763 1.05042 1.07434 1.10365 1.11583 1.12757 1.13863 1.15905 1.17445 1.18175 1.20016 1.20573 1.21539 1.21897 1.23707 1.24547 1.26382 1.27223 1.28346 1.28950 1.31740 1.32780 1.34803 1.35067 1.35807 1.37549 1.39438 1.40070 1.40556 1.41969 1.42709 1.43666 1.45196 1.47056 1.48049 1.49118 1.51324 1.51579 1.53319 1.55297 1.55924 1.56394 1.61387 1.63393 1.64085 1.65197 1.67081 1.67823 1.69786 1.70157 1.71494 1.72225 1.73196 1.73416 1.74515 1.76554 1.76915 1.77491 1.78344 1.79525 1.80196 1.81528 1.83201 1.83453 1.84817 1.85102 1.85943 1.86416 1.86888 1.87729 1.88589 1.89181 1.90139 1.90439 1.90745 1.91732 1.92425 1.93313 1.93974 1.94588 1.95212 1.96801 1.97935 1.98363 1.99305 2.02883 2.04790 2.04801 2.05141 2.05695 2.06240 2.06922 2.07905 2.08603 2.10071 2.11150 2.11705 2.12687 2.13921 2.14103 2.15243 2.16539 2.17231 2.17551 2.18395 2.19265 2.19813 2.20990 2.23166 2.25072 2.26432 2.27107 2.28211 2.29359 2.30169 2.31282 2.31459 2.32189 2.33639 2.34874 2.34944 2.36704 2.37350 2.39250 2.39660 2.40260 2.41889 2.43627 2.44795 2.45784 2.46814 2.48962 2.50201 2.51508 2.52829 2.53725 2.54492 2.55967 2.57223 2.57973 2.59727 2.60443 2.61981 2.63405 2.63877 2.65498 2.65970 2.68949 2.69670 2.70019 2.71451 2.72558 2.73624 2.74598 2.76246 2.77012 2.77493 2.78554 2.79710 2.80598 2.80964 2.81752 2.82428 2.83523 2.84000 2.84691 2.87063 2.88248 2.89997 2.91821 2.92580 2.94316 2.94815 2.96853 2.99175 3.01770 3.02484 3.06499 3.08382 3.13628 3.14719 3.16537 3.20418 3.21753 3.24403 3.25844 3.26376 3.28744 3.30324 3.30593 3.31739 3.35892 3.40806 3.41180 3.44723 3.45494 3.46780 3.48695 3.53537 3.54092 3.61551 3.66435 3.90503 4.00269 4.05249 4.09948 4.13116 4.13613 4.22471 4.27618 4.30194 4.33793 4.34950 4.42368 4.44125 4.47295 4.49605 4.55433 4.60040 4.63036 4.66049 4.68109 4.70240 4.89104 5.66157</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="40">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="40">F O O O N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="40">-0.300444 -0.596084 -0.648685 -0.667706 -0.509181 -0.478692 -0.519296 -0.639309 -0.044059 -0.077566 -0.101134 -0.093443 0.476696 0.499874 0.011965 0.317696 -0.135901 -0.060358 0.344595 0.101005 -0.089125 -0.324109 0.474632 0.381853 0.371819 0.174343 0.142017 0.146999 0.173562 0.188509 0.190266 0.191051 0.189419 0.129919 0.132242 0.141184 0.134279 0.122028 0.127482 0.121660</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:forces">
                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-54.8896 -9.7482 1.1301</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">55.7600</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-124.2264 -131.6150 -126.1413</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-1.7782 -11.7193 1.1908</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">3.1012 -4.2875 1.1863 -1.7782 -11.7193 1.1908</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-1766.2573 -37.1796 -5.7988 -98.8001 -130.9779 7.2871 -20.4710 6.9080 2.6624 -9.4873</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-7968.8943 -2135.6588 -280.6559 321.9312 -386.2969 -73.9066 -40.8957 -8.6464 -49.6390 -1967.2298 -1410.8558 -406.6259 -26.8408 -1.8614 5.3074</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-1126.3922276</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">6.405E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">3.739E-6</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">2.3056586,-3.1876245,0.881966,-1.3220329,-8.712981,0.8853649</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C15H17F1N4O3)]</scalar>
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">-21.5952428 -3.8352539 0.4446235</array>
               </module>
            </module>
            <molecule formalCharge="0" id="mol9999" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="F" id="a1" x3="-2.06739839" y3="2.74316744" z3="-0.35231206">
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.0" size="3">-0.000001112 0.000000037 0.000002926</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.1" size="3">-0.000001027 0.000002367 0.000010453</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.2" size="3">-0.000001557 0.000002869 0.000012636</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.3" size="3">0.000000025 0.000002738 0.000009214</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.4" size="3">-0.000000357 -0.000001093 -0.000002214</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.5" size="3">-0.000000335 -0.000002729 -0.000007705</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.6" size="3">0.000000254 0.000000905 0.000002421</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.7" size="3">0.000000029 -0.000000277 0.000000167</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.8" size="3">0.000000329 -0.000001215 -0.000004951</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.9" size="3">-0.000002024 -0.000002769 -0.000002666</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.10" size="3">0.000001489 -0.000001119 -0.000007444</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.11" size="3">-0.000001046 -0.000002518 -0.000005013</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.12" size="3">-0.000000913 -0.000000293 0.000000172</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.13" size="3">0.000000064 0.000000736 0.000002892</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.14" size="3">-0.000000639 0.000001051 0.000005320</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.15" size="3">-0.000000705 0.000000244 0.000002957</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.16" size="3">-0.000000825 0.000000789 0.000005441</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.17" size="3">0.000000711 0.000000604 -0.000000289</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.18" size="3">-0.000000796 0.000002022 0.000008072</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.19" size="3">-0.000000166 0.000001519 0.000004945</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.20" size="3">-0.000000490 0.000002092 0.000007681</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.21" size="3">0.000003131 0.000002329 -0.000001716</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.22" size="3">-0.000000299 0.000003065 0.000010299</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.23" size="3">0.000000503 -0.000002489 -0.000009342</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.24" size="3">-0.000001584 -0.000004139 -0.000008526</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.25" size="3">0.000001651 0.000000031 -0.000004694</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.26" size="3">-0.000000968 -0.000002656 -0.000005566</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.27" size="3">-0.000003534 -0.000004172 -0.000003117</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.28" size="3">-0.000002579 -0.000002503 -0.000000687</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.29" size="3">0.000001845 -0.000001340 -0.000009423</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.30" size="3">0.000002837 0.000000377 -0.000006976</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.31" size="3">0.000000282 -0.000001162 -0.000004474</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.32" size="3">-0.000002355 -0.000003894 -0.000005346</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.33" size="3">-0.000001261 0.000001289 0.000007478</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.34" size="3">0.000000071 0.000000053 0.000000052</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.35" size="3">-0.000000296 -0.000000826 -0.000001721</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.36" size="3">0.000000354 0.000001757 0.000004727</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.37" size="3">0.000003451 0.000001939 -0.000003690</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.38" size="3">0.000003719 0.000002701 -0.000002050</array>
                     </property>
                     <property dictRef="cc:force">
                        <array dataType="xsd:double" id="a1.39" size="3">0.000004122 0.000003681 -0.000000245</array>
                     </property>
                  </atom>
                  <atom elementType="O" id="a2" x3="2.94588514" y3="2.3881236" z3="-0.28137411"/>
                  <atom elementType="O" id="a3" x3="5.49847481" y3="1.11960835" z3="0.38786074"/>
                  <atom elementType="O" id="a4" x3="5.45575257" y3="-1.11568882" z3="0.08482947"/>
                  <atom elementType="N" id="a5" x3="-3.00443631" y3="0.10725475" z3="0.04842613"/>
                  <atom elementType="N" id="a6" x3="-5.76915321" y3="-0.60889458" z3="0.20834356"/>
                  <atom elementType="N" id="a7" x3="1.41161485" y3="-1.41067319" z3="0.22689765"/>
                  <atom elementType="N" id="a8" x3="-0.77298714" y3="-0.59032326" z3="0.15537212"/>
                  <atom elementType="C" id="a9" x3="-3.38176572" y3="-1.30554957" z3="0.03081516"/>
                  <atom elementType="C" id="a10" x3="-3.92456748" y3="0.91681794" z3="0.85802352"/>
                  <atom elementType="C" id="a11" x3="-4.77946554" y3="-1.45955272" z3="-0.55572442"/>
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                  <atom elementType="C" id="a14" x3="0.54691808" y3="-0.33610299" z3="0.10284902"/>
                  <atom elementType="C" id="a15" x3="1.08936851" y3="0.95479185" z3="-0.0499761"/>
                  <atom elementType="C" id="a16" x3="-1.17626372" y3="1.73722698" z3="-0.15639972"/>
                  <atom elementType="C" id="a17" x3="0.16563649" y3="2.00522912" z3="-0.18797468"/>
                  <atom elementType="C" id="a18" x3="0.90218145" y3="-2.79196956" z3="0.33074481"/>
                  <atom elementType="C" id="a19" x3="2.54683703" y3="1.22612523" z3="-0.08890763"/>
                  <atom elementType="C" id="a20" x3="2.75801334" y3="-1.17952978" z3="0.21460287"/>
                  <atom elementType="C" id="a21" x3="3.37577568" y3="0.03764054" z3="0.09351208"/>
                  <atom elementType="C" id="a22" x3="0.62277441" y3="-3.42324664" z3="-1.03261274"/>
                  <atom elementType="C" id="a23" x3="4.91777347" y3="0.02415367" z3="0.18879799"/>
                  <atom elementType="H" id="a24" x3="-6.68910118" y3="-0.66735214" z3="-0.23755193"/>
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                  <atom elementType="H" id="a26" x3="-2.68662793" y3="-1.85771123" z3="-0.60038902"/>
                  <atom elementType="H" id="a27" x3="-3.33114793" y3="-1.75261572" z3="1.03520224"/>
                  <atom elementType="H" id="a28" x3="-3.91826324" y3="0.57608044" z3="1.90559805"/>
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                  <atom elementType="H" id="a30" x3="-5.12441145" y3="-2.49199025" z3="-0.49904257"/>
                  <atom elementType="H" id="a31" x3="-4.81428287" y3="-1.11696503" z3="-1.59059999"/>
                  <atom elementType="H" id="a32" x3="-5.37616971" y3="1.23229261" z3="-0.72406516"/>
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                  <atom elementType="H" id="a34" x3="0.53106922" y3="3.01385333" z3="-0.34487662"/>
                  <atom elementType="H" id="a35" x3="1.65694025" y3="-3.3645736" z3="0.87405251"/>
                  <atom elementType="H" id="a36" x3="-0.00367706" y3="-2.7654821" z3="0.93654491"/>
                  <atom elementType="H" id="a37" x3="3.38749556" y3="-2.05637774" z3="0.31452477"/>
                  <atom elementType="H" id="a38" x3="0.26053662" y3="-4.446998" z3="-0.89739951"/>
                  <atom elementType="H" id="a39" x3="-0.13918422" y3="-2.85865847" z3="-1.57631075"/>
                  <atom elementType="H" id="a40" x3="1.53046192" y3="-3.45936184" z3="-1.64246206"/>
               </atomArray>
               <bondArray/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">303.1839031999998</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2814;5.4985,1.1196,.3879;5.4558,-1.1157,.0848;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4596,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6228,-3.4232,-1.0326;4.9178,.0242,.1888;-6.6891,-.6674,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3311,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.622,1.9606,.8471;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3449;1.6569,-3.3646,.8741;-.0037,-2.7655,.9365;3.3875,-2.0564,.3145;.2605,-4.447,-.8974;-.1392,-2.8587,-1.5763;1.5305,-3.4594,-1.6425;</scalar>
</formula>
</molecule>
         </module>
      </module>
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:hostname">
                  <scalar dataType="xsd:string">GINC-MILES</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">GMALLOCI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">remark line goes here</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#N</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Geom=AllCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Guess=TCheck</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCRF=Check</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Test</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">GenChk</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">RB3LYP/6-31G(d,p)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">Freq</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
               <atomArray>
                  <atom elementType="F" id="a1" x3="-2.067398" y3="2.743167" z3="-0.352312">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a2" x3="2.945885" y3="2.388124" z3="-0.281374">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a3" x3="5.498475" y3="1.119608" z3="0.387861">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="O" id="a4" x3="5.455753" y3="-1.115689" z3="0.084829">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a5" x3="-3.004436" y3="0.107255" z3="0.048426">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a6" x3="-5.769153" y3="-0.608895" z3="0.208344">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a7" x3="1.411615" y3="-1.410673" z3="0.226898">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="N" id="a8" x3="-0.772987" y3="-0.590323" z3="0.155372">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a9" x3="-3.381766" y3="-1.30555" z3="0.030815">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a10" x3="-3.924567" y3="0.916818" z3="0.858024">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a11" x3="-4.779466" y3="-1.459553" z3="-0.555724">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a12" x3="-5.334227" y3="0.835611" z3="0.29074">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a13" x3="-1.642973" y3="0.41027" z3="0.042831">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a14" x3="0.546918" y3="-0.336103" z3="0.102849">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a15" x3="1.089369" y3="0.954792" z3="-0.049976">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a16" x3="-1.176264" y3="1.737227" z3="-0.1564">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a17" x3="0.165636" y3="2.005229" z3="-0.187975">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a18" x3="0.902181" y3="-2.79197" z3="0.330745">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a19" x3="2.546837" y3="1.226125" z3="-0.088908">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a20" x3="2.758013" y3="-1.17953" z3="0.214603">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a21" x3="3.375776" y3="0.037641" z3="0.093512">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a22" x3="0.622774" y3="-3.423247" z3="-1.032613">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C" id="a23" x3="4.917773" y3="0.024154" z3="0.188798">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a24" x3="-6.689101" y3="-0.667352" z3="-0.237552">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a25" x3="-5.893054" y3="-0.985708" z3="1.154401">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a26" x3="-2.686628" y3="-1.857711" z3="-0.600389">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a27" x3="-3.331148" y3="-1.752616" z3="1.035202">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a28" x3="-3.918263" y3="0.57608" z3="1.905598">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a29" x3="-3.621957" y3="1.960593" z3="0.847142">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a30" x3="-5.124411" y3="-2.49199" z3="-0.499043">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a31" x3="-4.814283" y3="-1.116965" z3="-1.5906">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a32" x3="-5.37617" y3="1.232293" z3="-0.724065">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a33" x3="-6.051635" y3="1.359466" z3="0.922487">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a34" x3="0.531069" y3="3.013853" z3="-0.344877">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a35" x3="1.65694" y3="-3.364574" z3="0.874053">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a36" x3="-0.003677" y3="-2.765482" z3="0.936545">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a37" x3="3.387496" y3="-2.056378" z3="0.314525">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a38" x3="0.260537" y3="-4.446998" z3="-0.8974">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a39" x3="-0.139184" y3="-2.858658" z3="-1.576311">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H" id="a40" x3="1.530462" y3="-3.459362" z3="-1.642462">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray/>
               <formula concise="C15H17FN4O3"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">303.1839031999998</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/15C.F.4N.3O.17H">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;1;5;6;7;8;2;3;4;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40/rA:40nF0O0O0O0N0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-2.0674,2.7432,-.3523;2.9459,2.3881,-.2814;5.4985,1.1196,.3879;5.4558,-1.1157,.0848;-3.0044,.1073,.0484;-5.7692,-.6089,.2083;1.4116,-1.4107,.2269;-.773,-.5903,.1554;-3.3818,-1.3055,.0308;-3.9246,.9168,.858;-4.7795,-1.4596,-.5557;-5.3342,.8356,.2907;-1.643,.4103,.0428;.5469,-.3361,.1028;1.0894,.9548,-.05;-1.1763,1.7372,-.1564;.1656,2.0052,-.188;.9022,-2.792,.3307;2.5468,1.2261,-.0889;2.758,-1.1795,.2146;3.3758,.0376,.0935;.6228,-3.4232,-1.0326;4.9178,.0242,.1888;-6.6891,-.6674,-.2376;-5.8931,-.9857,1.1544;-2.6866,-1.8577,-.6004;-3.3311,-1.7526,1.0352;-3.9183,.5761,1.9056;-3.622,1.9606,.8471;-5.1244,-2.492,-.499;-4.8143,-1.117,-1.5906;-5.3762,1.2323,-.7241;-6.0516,1.3595,.9225;.5311,3.0139,-.3449;1.6569,-3.3646,.8741;-.0037,-2.7655,.9365;3.3875,-2.0564,.3145;.2605,-4.447,-.8974;-.1392,-2.8587,-1.5763;1.5305,-3.4594,-1.6425;</scalar>
</formula>
</molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">remark line goes here</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant" dataType="xsd:string" dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">Charge =  0 Multiplicity = 1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="42">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="42">1 2 3 4 5 5 5 6 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 15 16 17 18 18 18 19 20 20 21 22 22 22</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="42">16 19 23 23 9 10 13 11 12 24 25 14 18 20 13 14 11 26 27 12 28 29 30 31 32 33 16 15 17 19 17 34 22 35 36 21 21 37 23 38 39 40</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="42">1.3581 1.2436 1.2557 1.2647 1.4624 1.4688 1.3948 1.5123 1.5108 1.024 1.0258 1.3848 1.4759 1.3662 1.3307 1.3452 1.5236 1.0893 1.1006 1.5217 1.1016 1.0868 1.09 1.0907 1.0904 1.09 1.4207 1.4086 1.4056 1.483 1.3688 1.0842 1.5282 1.0921 1.0901 1.4604 1.3703 1.084 1.545 1.0943 1.0931 1.0941</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="42">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="76">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="76">9 9 10 11 11 11 12 12 24 14 14 18 13 5 5 5 11 11 26 5 5 5 12 12 28 6 6 6 9 9 30 6 6 6 10 10 32 5 5 8 7 7 8 14 14 17 1 1 13 15 15 16 7 7 7 22 22 35 2 2 15 7 7 21 19 19 20 18 18 18 38 38 39 3 3 4</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="76">5 5 5 6 6 6 6 6 6 7 7 7 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="76">10 13 13 12 24 25 24 25 25 18 20 20 14 11 26 27 26 27 27 12 28 29 28 29 29 9 30 31 30 31 31 10 32 33 32 33 33 8 16 16 8 15 15 17 19 19 13 17 17 16 34 34 22 35 36 35 36 36 15 21 21 21 37 37 20 23 23 38 39 40 39 40 40 4 21 21</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="76">112.1767 117.4955 119.6 112.1468 109.623 109.778 109.6918 109.6134 105.7895 121.1307 118.8999 119.9443 119.7417 109.8149 109.3919 111.6895 108.1267 110.6382 107.0718 110.2075 110.4923 110.4501 110.0784 107.7859 107.7574 110.4266 107.4227 106.3692 111.4713 111.2733 109.6794 109.7574 106.6187 107.5557 111.2954 111.5913 109.8303 118.3249 121.6105 119.9614 117.5501 118.7109 123.732 116.2609 123.2986 120.434 119.7693 119.6652 120.5427 119.7151 119.2047 121.0595 112.7648 106.6879 107.6497 110.7075 110.7261 108.0938 119.3651 126.6973 113.9315 126.5393 115.7605 117.6999 118.554 125.5418 115.8957 109.6783 110.9664 111.0524 108.2943 108.2158 108.547 127.0533 117.6264 115.2996</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="76">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="111">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="111">10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 12 12 12 24 24 24 25 25 25 11 11 11 24 24 24 25 25 25 18 18 20 20 14 14 14 20 20 20 14 14 18 18 14 14 13 13 5 5 5 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 5 5 8 8 7 7 8 8 14 14 19 19 14 14 17 17 1 1 13 13 7 7 7 35 35 35 36 36 36 2 2 15 15 7 7 37 37 19 19 20 20</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="111">5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="111">9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 18 18 18 18 18 18 20 20 20 20 13 13 14 14 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 15 15 15 15 17 17 17 17 19 19 19 19 17 17 17 17 22 22 22 22 22 22 22 22 22 21 21 21 21 21 21 21 21 23 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="111">11 26 27 11 26 27 12 28 29 12 28 29 8 16 8 16 9 30 31 9 30 31 9 30 31 10 32 33 10 32 33 10 32 33 8 15 8 15 22 35 36 22 35 36 21 37 21 37 5 16 7 15 6 30 31 6 30 31 6 30 31 6 32 33 6 32 33 6 32 33 1 17 1 17 17 19 17 19 16 34 16 34 2 21 2 21 15 34 15 34 38 39 40 38 39 40 38 39 40 20 23 20 23 19 23 19 23 3 4 3 4</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="111">60.066 178.5829 -63.0615 -155.4974 -36.9805 81.375 -60.6877 61.1893 -179.6767 155.707 -82.4159 36.718 -6.5353 169.7679 135.1912 -48.5057 53.7456 175.498 -67.1124 175.842 -62.4056 54.984 -68.3601 53.3923 170.7819 -53.7598 66.8986 -175.343 -175.8171 -55.1586 62.5997 68.4397 -170.9019 -53.1435 3.6123 -177.3186 -178.2091 0.86 84.6504 -153.6052 -37.7799 -93.5093 28.2351 144.0603 0.2288 -179.9658 178.4295 -1.7651 177.5123 1.1461 179.9025 0.8842 -55.5321 -174.861 62.355 -174.8272 65.8438 -56.9402 68.2119 -51.117 -173.901 56.0328 -61.7529 175.1655 -66.0891 176.1252 53.0436 176.6349 58.8491 -64.2324 -0.254 -178.5128 175.9898 -2.2691 179.2359 0.1642 -1.7564 179.1719 0.5803 -177.7815 179.6804 1.3186 177.0921 -2.0661 -1.9424 178.8994 -176.9292 1.4015 1.3314 179.6621 179.3015 -61.0919 59.7382 59.8586 179.4652 -59.7047 -60.0115 59.5952 -179.5747 -176.1042 5.0045 2.9808 -175.9105 -2.2979 176.6992 177.9 -3.1029 14.7441 -166.7945 -164.1733 14.2881</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="111">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Step number 1 out of a maximum of 2</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="9">Second derivative matrix not updated -- analytic derivatives used.</array>
                     <array cmlx:templateRef="eigenvaluelist" dataType="xsd:double" dictRef="" size="114">0.00162 0.00229 0.00257 0.00363 0.00438 0.00489 0.00750 0.00769 0.00838 0.00931 0.01399 0.01455 0.01580 0.01803 0.02013 0.02053 0.02079 0.02439 0.02616 0.02694 0.02722 0.03167 0.03637 0.03930 0.03932 0.03989 0.04303 0.04405 0.04452 0.04458 0.04488 0.04535 0.04662 0.04915 0.05746 0.05954 0.06110 0.06964 0.07211 0.07520 0.07809 0.08304 0.08415 0.08697 0.09151 0.09976 0.10515 0.11731 0.11809 0.11934 0.12170 0.12444 0.13367 0.16125 0.16272 0.17092 0.18143 0.18360 0.18665 0.19698 0.19988 0.20318 0.20699 0.20822 0.21187 0.21692 0.22188 0.22678 0.23409 0.24201 0.24571 0.25802 0.26057 0.26464 0.27748 0.28450 0.28790 0.30299 0.31049 0.31443 0.32601 0.33101 0.33631 0.33958 0.34115 0.34316 0.34783 0.34924 0.35028 0.35331 0.35392 0.35419 0.35483 0.35690 0.35810 0.36306 0.36796 0.37899 0.38373 0.38995 0.40372 0.41415 0.42529 0.43054 0.43347 0.44634 0.49404 0.51330 0.52210 0.54176 0.57106 0.57941 0.73340 0.75322</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 76.39 degrees.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="2">0.00000687 0.00000000</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="2">0.00000000 0.00000000</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="229">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111</array>
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                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="110">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="110">10 10 10 13 13 13 9 9 9 13 13 13 9 9 10 10 12 12 12 24 24 24 25 25 25 11 11 11 24 24 24 25 25 25 18 18 20 20 14 14 14 20 20 20 14 14 18 18 14 14 13 13 5 5 5 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 5 5 8 8 7 7 8 8 14 14 19 19 14 14 17 17 1 1 13 13 7 7 7 35 35 35 36 36 36 2 2 15 15 7 7 37 37 19 19 20</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="110">5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="110">9 9 9 9 9 9 10 10 10 10 10 10 13 13 13 13 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 18 18 18 18 18 18 20 20 20 20 13 13 14 14 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 15 15 15 15 17 17 17 17 19 19 19 19 17 17 17 17 22 22 22 22 22 22 22 22 22 21 21 21 21 21 21 21 21 23 23 23</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="110">11 26 27 11 26 27 12 28 29 12 28 29 8 16 8 16 9 30 31 9 30 31 9 30 31 10 32 33 10 32 33 10 32 33 8 15 8 15 22 35 36 22 35 36 21 37 21 37 5 16 7 15 6 30 31 6 30 31 6 30 31 6 32 33 6 32 33 6 32 33 1 17 1 17 17 19 17 19 16 34 16 34 2 21 2 21 15 34 15 34 38 39 40 38 39 40 38 39 40 20 23 20 23 19 23 19 23 3 4 3</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="110">60.066 178.5829 -63.0615 -155.4974 -36.9805 81.375 -60.6877 61.1893 -179.6767 155.707 -82.4159 36.718 -6.5353 169.7679 135.1912 -48.5057 53.7456 175.498 -67.1124 175.842 -62.4056 54.984 -68.3601 53.3923 170.7819 -53.7598 66.8986 -175.343 -175.8171 -55.1586 62.5997 68.4397 -170.9019 -53.1435 3.6123 -177.3186 -178.2091 0.86 84.6504 -153.6052 -37.7799 -93.5093 28.2351 144.0603 0.2288 -179.9658 178.4295 -1.7651 177.5123 1.1461 179.9025 0.8842 -55.5321 -174.861 62.355 -174.8272 65.8438 -56.9402 68.2119 -51.117 -173.901 56.0328 -61.7529 175.1655 -66.0891 176.1252 53.0436 176.6349 58.8491 -64.2324 -0.254 -178.5128 175.9898 -2.2691 179.2359 0.1642 -1.7564 179.1719 0.5803 -177.7815 179.6804 1.3186 177.0921 -2.0661 -1.9424 178.8994 -176.9292 1.4015 1.3314 179.6621 179.3015 -61.0919 59.7382 59.8586 179.4652 -59.7047 -60.0115 59.5952 -179.5747 -176.1042 5.0045 2.9808 -175.9105 -2.2979 176.6992 177.9 -3.1029 14.7441 -166.7945 -164.1733</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="110">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis">
                     <scalar dataType="xsd:string" dictRef="cc:basis">6-31G(d,p)</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(6D, 7F)</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:natoms">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">40</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">40</scalar>
                     <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                     <scalar dataType="xsd:string" dictRef="g:big">F</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="820">0.000000 5.026341 0.000000 7.773432 2.927921 0.000000 8.466384 4.325534 2.256149 0.000000 2.826069 6.381023 8.569689 8.548199 0.000000 5.025300 9.228967 11.400850 11.237019 2.860438 0.000000 5.449166 4.128339 4.809434 4.057370 4.673057 7.225415 0.000000 3.611842 4.784548 6.504549 6.251255 2.340388 4.996481 2.334647 0.000000 4.273928 7.333475 9.212358 8.839723 1.462431 2.493284 4.798541 2.707912 0.000000 2.872202 7.118011 9.436944 9.629087 1.468837 2.480399 5.855799 3.563377 2.432658 0.000000 5.005951 8.634867 10.638538 10.261006 2.443484 1.512250 6.240542 4.160900 1.523585 2.894248 0.000000 3.837246 8.443806 10.836859 10.966933 2.452986 1.510809 7.110292 4.780849 2.909335 1.521691 2.508393 0.000000 2.403890 5.007458 7.184879 7.261007 1.394787 4.253405 3.560930 1.330687 2.442863 2.475238 3.700283 3.723940 0.000000 4.064939 3.650217 5.168969 4.970386 3.579336 6.322840 1.384843 1.345190 4.047168 4.704709 5.483267 5.999673 2.314368 0.000000 3.640724 2.356828 4.433857 4.834291 4.181775 7.039259 2.403316 2.428563 5.010660 5.095631 6.366165 6.433729 2.787617 1.408552 0.000000 1.358094 4.175092 6.725311 7.223639 2.457840 5.170296 4.093080 2.382714 3.762682 3.042252 4.833417 4.278026 1.420678 2.708369 2.399296 0.000000 2.357542 2.808045 5.436458 6.148161 3.702371 6.497110 3.659641 2.781329 4.857282 4.359876 6.049296 5.643197 2.422444 2.389935 1.405611 1.368765 0.000000 6.318442 5.602212 6.035695 4.858539 4.873076 7.020506 1.475902 2.772037 4.544404 6.109880 5.902735 7.214827 4.100615 2.491873 3.770704 5.007082 4.881054 0.000000 4.864357 1.243593 2.991792 3.738458 5.664571 8.521229 2.888108 3.792149 6.447638 6.547628 7.817000 7.899861 4.270537 2.544996 1.483021 3.758625 2.507376 4.361890 0.000000 6.244481 3.606860 3.581366 2.701613 5.906713 8.546241 1.366151 3.580312 6.143822 7.033175 7.581913 8.339721 4.682483 2.369135 2.722078 4.911583 4.126157 2.461212 2.433904 0.000000 6.094816 2.418701 2.400656 2.378350 6.380751 9.168474 2.444040 4.196474 6.890026 7.392729 8.316914 8.748703 5.032818 2.853455 2.467674 4.865400 3.775663 3.765852 1.460449 1.370327 0.000000 6.761989 6.303430 6.813790 5.470939 5.175881 7.093468 2.501817 3.374154 4.653156 6.564220 5.767817 7.441438 4.581052 3.290210 4.511153 5.534869 5.512779 1.528176 5.119498 3.339020 4.563432 0.000000 7.515215 3.114123 1.255731 1.264702 7.923889 10.705678 3.788579 5.723937 8.406867 8.912447 9.838300 10.284569 6.573719 4.386519 3.947124 6.339643 5.162308 4.906697 2.672676 2.472667 1.544998 5.641226 0.000000 5.744993 10.107958 12.333750 12.157401 3.776050 1.023985 8.147996 5.929648 3.379021 3.369351 2.091775 2.091333 5.167523 7.251591 7.948027 6.014978 7.357484 7.903451 9.429205 9.471787 10.094967 7.854336 11.635269 0.000000 5.550706 9.569276 11.609775 11.399838 3.280528 1.025848 7.375571 5.231584 2.769714 2.753613 2.095027 2.091745 4.609505 6.557514 7.346448 5.601847 6.888789 7.079281 8.813046 8.704123 9.385304 7.292506 10.900743 1.634800 0.000000 4.648986 7.060743 8.765670 8.204784 2.093575 3.422799 4.204740 2.416499 1.089274 3.370085 2.130844 3.880448 2.578117 3.642205 4.740388 3.924526 4.819523 3.823533 6.095967 5.546914 6.389569 3.686443 7.873446 4.191467 3.757772 0.000000 4.871789 7.634150 9.307575 8.861067 2.130630 2.817031 4.823285 2.944352 1.100556 2.740331 2.171303 3.356406 2.917672 4.232634 5.296096 4.271117 5.276842 4.415608 6.684851 6.170875 7.005328 4.764490 8.480449 3.751473 2.676886 1.761139 0.000000 3.635949 7.428518 9.553738 9.697910 2.122255 2.776803 5.930668 3.783722 2.709829 1.101614 3.308108 2.163348 2.945223 4.901003 5.389255 3.621969 4.806636 6.087743 6.796921 7.107341 7.535023 6.726717 9.018180 3.717090 2.627409 3.704084 2.554431 0.000000 2.113709 6.677790 9.170631 9.615063 2.110484 3.408927 6.089908 3.886174 3.375170 1.086811 3.873662 2.122979 2.639469 4.817500 4.900311 2.652999 3.926745 6.581895 6.282488 7.138942 7.296161 7.108935 8.781242 4.182109 3.732691 4.189229 3.729324 1.767767 0.000000 6.064135 9.433588 11.255041 10.685269 3.398543 2.112377 6.664524 4.793693 2.173754 3.860211 1.090013 3.426471 4.564773 6.097057 7.119904 5.795822 6.950277 6.090842 8.534673 8.022747 8.888382 5.846544 10.375432 2.417837 2.365074 2.520986 2.473131 4.080459 4.888260 0.000000 4.896872 8.615099 10.736365 10.405801 2.731422 2.099074 6.492408 4.433716 2.171787 3.305091 1.090663 2.760858 3.880432 5.676266 6.443508 4.841335 6.042768 6.259007 7.869640 7.784751 8.440759 5.932274 9.958982 2.355384 2.952288 2.460922 3.081976 3.986559 4.103120 1.782799 0.000000 3.656352 8.413591 10.931924 11.112959 2.736343 2.100903 7.345993 5.028382 3.314836 2.170179 2.762323 1.090388 3.898796 6.182768 6.506503 4.268069 5.621071 7.531600 7.948427 8.535978 8.870861 7.599775 10.404719 2.359901 2.952174 4.098421 4.023284 3.077537 2.465031 3.739559 2.566245 0.000000 4.406119 9.135797 11.564964 11.800340 3.408436 2.112875 7.991096 5.679284 3.876285 2.173594 3.427884 1.090047 4.594678 6.862045 7.218267 5.007589 6.348591 8.120353 8.658777 9.195515 9.555653 8.440645 11.074714 2.420753 2.361942 4.898229 4.135070 2.476181 2.504070 4.208824 3.738898 1.784254 0.000000 2.612539 2.495377 5.366581 6.441294 4.593779 7.288563 4.547386 3.865346 5.840262 5.069243 6.946769 6.288915 3.414004 3.379781 2.153694 2.140160 1.084197 5.856771 2.706439 4.780874 4.140336 6.474384 5.335381 8.105162 7.714511 5.843886 6.288129 5.550129 4.447234 7.894463 6.869372 6.181684 6.904724 0.000000 7.258042 6.007488 5.924665 4.484566 5.870578 7.948824 2.072853 3.757328 5.508102 7.034472 6.862994 8.176687 5.082303 3.316404 4.453413 5.925981 5.673330 1.092117 4.774277 2.534098 3.890848 2.169865 4.752481 8.841215 7.920860 4.828167 5.244559 6.904762 7.498325 6.973774 7.280315 8.552765 9.041074 6.590729 0.000000 6.022069 6.061592 6.757859 5.766508 4.248050 6.198537 2.083784 2.435854 3.789886 5.379487 5.171119 6.465268 3.683940 2.626802 4.001051 4.779527 4.904375 1.090080 4.846607 3.265483 4.470895 2.168566 5.706301 7.104615 6.156283 3.222490 3.479611 5.237279 5.952792 5.325188 5.678556 6.899529 7.320737 5.943796 1.766484 0.000000 7.296312 4.505964 3.814249 2.283712 6.753437 9.270960 2.080557 4.414098 6.816680 7.912114 8.234852 9.188722 5.609259 3.327617 3.805442 5.953243 5.208602 2.591938 3.412373 1.084018 2.105682 3.365530 2.585763 10.186853 9.379783 6.145853 6.764009 7.926882 8.096429 8.561788 8.472377 9.417847 10.056580 5.856725 2.240373 3.519913 0.000000 7.577261 7.369496 7.750806 6.249213 5.682944 7.232625 3.436320 4.129218 4.898637 7.026174 5.868832 7.785821 5.300984 4.240515 5.530318 6.392035 6.491804 2.158510 6.169697 4.260315 5.549649 1.094333 6.546822 7.938425 7.352353 3.934260 4.888235 7.109886 7.692490 5.742683 6.109291 8.003552 8.767583 7.486172 2.501925 2.502130 4.118458 0.000000 6.049515 6.222800 7.174105 6.091030 4.432390 6.320046 2.784457 2.923316 3.938189 5.874464 4.952909 6.642437 3.945744 3.107024 4.287358 4.920756 5.067326 2.173879 5.110043 3.797446 4.850959 1.093137 6.082683 7.035305 6.638656 2.905820 4.269890 6.180822 6.420905 5.113457 4.989013 6.699867 7.680732 6.037555 3.079983 2.518231 4.081223 1.772997 0.000000 7.285633 6.168393 6.390173 4.887151 6.012084 8.052020 2.775924 4.095054 5.618607 7.427027 6.707863 8.325143 5.280620 3.710555 4.713314 6.044773 5.817219 2.175705 5.039875 3.186410 4.318312 1.094128 5.192521 8.793765 8.309633 4.629800 5.806730 7.652590 7.881717 6.821331 6.763527 8.399800 9.342819 6.677202 2.521473 3.079988 3.040845 1.772922 1.775652 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.5634569 0.1351367 0.1117067</array>
                  </module>
               </module>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1126.39222755</scalar>
               </module>
               <module cmlx:templateRef="l1102">
                  <list cmlx:templateRef="l1102">
                     <scalar dataType="xsd:string" dictRef="g:l1102">Symmetrizing basis deriv contribution to polar:</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1102">IMax=3 JMax=2 DiffMx= 0.00D+00</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l1002.minotr">
                  <list cmlx:templateRef="l1002">
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=1111111111111111111111111111111111111111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=  78.3553, EpsInf=   1.7778)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to electric field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">with respect to dipole field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to nuclear coordinates.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu exits because no D1Ps are significant.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   123 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">123 vectors produced by pass  0 Test12= 2.91D-14 1.00D-09 XBig12= 3.47D+02 8.71D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form     7 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">123 vectors produced by pass  1 Test12= 2.91D-14 1.00D-09 XBig12= 7.62D+01 1.23D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">121 vectors produced by pass  2 Test12= 2.91D-14 1.00D-09 XBig12= 4.54D-01 7.93D-02.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">120 vectors produced by pass  3 Test12= 2.91D-14 1.00D-09 XBig12= 1.37D-03 3.17D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">120 vectors produced by pass  4 Test12= 2.91D-14 1.00D-09 XBig12= 2.74D-06 1.53D-04.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">84 vectors produced by pass  5 Test12= 2.91D-14 1.00D-09 XBig12= 3.70D-09 4.25D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">29 vectors produced by pass  6 Test12= 2.91D-14 1.00D-09 XBig12= 3.79D-12 1.81D-07.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">5 vectors produced by pass  7 Test12= 2.91D-14 1.00D-09 XBig12= 3.73D-15 5.76D-09.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 7.11D-15</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension   725 with   123 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      267.20 Bohr**3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">End of Minotr F.D. properties file   721 does not exist.</scalar>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT40962.900S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2021-10-16T14:31:56.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="79">-14.39599 -14.37870 -14.34410 -10.28497 -10.28241 -10.27421 -10.26668 -10.26629 -10.25170 -10.24735 -10.24368 -10.24240 -10.22979 -10.22843 -10.21323 -10.20060 -10.18163 -10.17166 -1.23127 -1.03495 -1.01112 -0.99536 -0.98157 -0.97913 -0.92569 -0.89400 -0.82493 -0.81377 -0.79451 -0.78598 -0.74670 -0.73725 -0.69602 -0.67136 -0.66042 -0.64432 -0.63253 -0.60030 -0.59524 -0.57904 -0.55924 -0.54245 -0.53084 -0.51565 -0.50945 -0.50177 -0.49214 -0.48790 -0.47771 -0.47347 -0.45941 -0.45303 -0.44197 -0.43272 -0.42789 -0.42536 -0.41839 -0.41270 -0.40353 -0.39981 -0.39126 -0.38716 -0.38512 -0.38054 -0.37720 -0.37216 -0.35815 -0.35563 -0.35121 -0.34186 -0.30000 -0.28931 -0.28118 -0.23637 -0.23112 -0.21150 -0.20841 -0.20201 -0.19031</array>
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                     <module cmlx:templateRef="mulliken">
                        <module cmlx:templateRef="l601.mullik">
                           <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <list cmlx:templateRef="row">
                              <array dataType="xsd:integer" dictRef="cc:serial" size="40">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="40">F O O O N N N N C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="40">-0.300444 -0.596082 -0.648687 -0.667707 -0.509182 -0.478692 -0.519300 -0.639306 -0.044059 -0.077567 -0.101134 -0.093443 0.476696 0.499873 0.011963 0.317697 -0.135902 -0.060358 0.344594 0.101005 -0.089122 -0.324109 0.474634 0.381853 0.371819 0.174343 0.142017 0.146999 0.173562 0.188509 0.190266 0.191051 0.189419 0.129919 0.132242 0.141184 0.134279 0.122028 0.127482 0.121660</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="23">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="23">F O O O N N N N C C C C C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="23">-0.300444 -0.596082 -0.648687 -0.667707 -0.509182 0.274980 -0.519300 -0.639306 0.272301 0.242995 0.277640 0.287026 0.476696 0.499873 0.011963 0.317697 -0.005983 0.213068 0.344594 0.235284 -0.089122 0.047062 0.474634</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00001</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">377.543 11.614 286.599 -3.864 -7.668 137.460</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">401.806 20.639 368.225 -3.624 -15.907 165.223</array>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="l716.forcematrix">
                     <module cmlx:templateRef="lowfreq">
                        <array cmlx:templateRef="lowfreq" dataType="xsd:double" dictRef="g:1716.lowfreq" size="9">-12.7040 -8.1076 -0.0023 -0.0008 -0.0005 3.0869 28.3474 33.6834 41.4436</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
                        <array dataType="xsd:integer" dictRef="x:serial" size="114">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</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="114">A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A</array>
                        <array dataType="xsd:double" dictRef="cc:frequency" size="114">27.9881 33.5770 41.0370 53.8364 60.8618 69.8685 90.4756 125.6996 161.7401 179.6640 197.5753 216.1782 219.5321 241.1020 253.3390 270.9784 299.3058 316.9870 330.8891 356.2591 384.4845 390.9055 405.3201 422.7984 453.2637 464.8682 471.0506 495.2523 517.4561 542.9932 557.0269 625.4995 647.3819 688.4420 699.5808 728.0283 743.4521 755.7312 769.0150 790.3298 807.1236 813.2308 823.0033 837.8649 865.3948 877.1079 913.9278 943.9881 947.1201 968.1647 975.6196 1026.5304 1044.8739 1054.7265 1063.3174 1065.4845 1109.7412 1110.2842 1145.1861 1163.0260 1178.7260 1193.3540 1198.5461 1228.6449 1268.9668 1278.4884 1282.9728 1314.8556 1326.2835 1348.7111 1359.5520 1367.3584 1369.2119 1381.2477 1385.8063 1406.4060 1416.7277 1419.3504 1423.0431 1425.9777 1439.7882 1451.5695 1478.3231 1487.2897 1491.1804 1494.3788 1495.2368 1502.9171 1509.4257 1512.0246 1524.7680 1578.6115 1635.2712 1648.4522 1657.9857 1670.2074 1708.9656 3001.9171 3012.1094 3053.3232 3094.2952 3118.6506 3122.1496 3124.6498 3134.4237 3157.2646 3160.1898 3182.8216 3186.3344 3193.3285 3223.7697 3229.2742 3433.9602 3490.5514</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="114">6.1254 6.2340 3.6668 5.9336 4.6101 3.4768 5.0729 5.3920 5.8766 5.4666 3.1000 1.6386 3.4981 2.8097 2.8235 3.2347 6.3230 4.0874 5.4545 3.8756 4.6307 2.5783 3.5504 10.5982 4.9962 4.0656 3.4641 4.9618 3.0026 4.1313 3.7105 4.3717 4.3118 9.2005 4.5596 9.8642 7.3377 6.0710 4.2344 2.9591 2.0115 6.4866 3.7988 1.6987 5.4016 1.4572 2.3536 2.5187 1.5547 2.5450 1.3639 1.4971 3.0433 1.9854 3.0962 2.9763 1.9656 2.5822 1.7235 2.3939 2.0815 2.0505 1.1952 3.0032 1.6509 1.7453 2.9142 2.0721 1.1819 1.3061 8.3976 2.4151 1.7874 1.6937 1.7544 1.8303 1.8894 1.3302 1.1896 2.4002 1.5431 1.4384 3.9077 1.1563 1.1011 1.0761 1.0705 1.1503 1.1213 1.0905 3.7621 8.3687 7.4713 9.4778 1.0776 9.9391 11.9259 1.0749 1.0737 1.0352 1.0635 1.0600 1.0596 1.1034 1.1010 1.1054 1.0906 1.1117 1.1105 1.0904 1.0905 1.0915 1.0551 1.0951</array>
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                        <array dataType="xsd:double" dictRef="cc:irintensity" size="114">0.8604 0.9924 2.4945 5.5170 1.8894 1.0570 1.5639 7.4646 5.3367 2.8566 8.2135 9.6092 21.0350 1.7976 10.7996 8.0370 10.1205 3.8258 0.6263 4.6854 3.1990 10.4754 18.5577 4.8040 7.8823 1.9777 3.6499 12.8497 13.5130 3.5897 5.1429 77.0136 23.8283 5.4385 12.9956 31.6116 59.3456 28.6697 14.2520 34.6187 10.2098 34.8352 12.3315 4.2224 32.4818 38.2600 8.5853 83.4843 34.7034 32.6269 6.9179 21.8834 29.3076 29.5018 5.2151 8.8171 11.2387 35.8476 99.7142 37.1436 18.5915 63.8389 44.9001 27.1443 14.5333 519.8350 209.9246 233.8121 69.7485 23.8438 684.9665 99.3451 194.3917 26.6260 93.1056 1.7054 106.3363 11.0506 62.7760 4.2876 20.0180 9.6841 1310.6491 41.3204 24.9271 1.4870 11.2526 15.3618 1.6305 9.5976 31.5676 9.3470 17.2865 571.5354 90.1662 31.5153 1293.2905 68.6086 70.6993 26.2660 33.3967 6.4555 7.0936 28.1793 39.9521 24.7127 4.2868 4.3982 3.9588 8.5617 3.8781 8.6412 83.8448 120.2849</array>
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