<?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-ENVY</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">SGERVASONI</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">NEW-compound opt 6-31G**</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevA.03</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">28-Nov-2025</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">52</scalar>
               </parameter>
               <parameter dictRef="cc:natoms">
                  <scalar dataType="xsd:integer">52</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">#N</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=NoRaman</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">SCF=XQC</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="O" id="a1" x3="-0.9960" y3="1.4570" z3="-0.2340"/>
                  <atom elementType="O" id="a2" x3="3.3880" y3="-2.6190" z3="0.4030"/>
                  <atom elementType="O" id="a3" x3="5.6410" y3="-1.6630" z3="-0.5300"/>
                  <atom elementType="O" id="a4" x3="6.0330" y3="0.4730" z3="0.1880"/>
                  <atom elementType="N" id="a5" x3="1.8880" y3="1.1090" z3="-0.2840"/>
                  <atom elementType="N" id="a6" x3="-2.6730" y3="-0.6350" z3="0.2550"/>
                  <atom elementType="N" id="a7" x3="-4.3180" y3="1.8370" z3="0.8160"/>
                  <atom elementType="H" id="a8" x3="-5.2720" y3="2.3950" z3="0.6300"/>
                  <atom elementType="C" id="a9" x3="1.4750" y3="2.5080" z3="-0.5460"/>
                  <atom elementType="C" id="a10" x3="2.0250" y3="3.6300" z3="0.2680"/>
                  <atom elementType="C" id="a11" x3="0.5850" y3="3.2310" z3="0.4070"/>
                  <atom elementType="C" id="a12" x3="-4.8330" y3="-0.6150" z3="-0.9430"/>
                  <atom elementType="C" id="a13" x3="-4.5990" y3="0.4950" z3="1.3310"/>
                  <atom elementType="C" id="a14" x3="-5.5290" y3="-0.2680" z3="0.3810"/>
                  <atom elementType="C" id="a15" x3="-3.5210" y3="-1.3730" z3="-0.6880"/>
                  <atom elementType="C" id="a16" x3="-3.2880" y3="-0.2730" z3="1.5420"/>
                  <atom elementType="C" id="a17" x3="0.9720" y3="0.0480" z3="-0.0330"/>
                  <atom elementType="C" id="a18" x3="-1.2870" y3="-0.8290" z3="0.2360"/>
                  <atom elementType="C" id="a19" x3="-0.4190" y3="0.2380" z3="-0.0140"/>
                  <atom elementType="C" id="a20" x3="3.2450" y3="0.8520" z3="-0.2880"/>
                  <atom elementType="C" id="a21" x3="1.4640" y3="-1.2530" z3="0.2080"/>
                  <atom elementType="C" id="a22" x3="-5.7610" y3="-1.4330" z3="-1.8390"/>
                  <atom elementType="C" id="a23" x3="-0.7820" y3="-2.1040" z3="0.4720"/>
                  <atom elementType="C" id="a24" x3="3.8150" y3="-0.3400" z3="-0.0720"/>
                  <atom elementType="C" id="a25" x3="0.5930" y3="-2.3210" z3="0.4600"/>
                  <atom elementType="C" id="a26" x3="2.9290" y3="-1.5020" z3="0.1980"/>
                  <atom elementType="C" id="a27" x3="5.2750" y3="-0.4320" z3="-0.1120"/>
                  <atom elementType="C" id="a28" x3="-1.3210" y3="1.7820" z3="-1.5830"/>
                  <atom elementType="H" id="a29" x3="1.3650" y3="2.7070" z3="-1.6070"/>
                  <atom elementType="H" id="a30" x3="2.2440" y3="4.5620" z3="-0.2380"/>
                  <atom elementType="H" id="a31" x3="2.6820" y3="3.4110" z3="1.1010"/>
                  <atom elementType="H" id="a32" x3="0.3250" y3="2.8020" z3="1.3680"/>
                  <atom elementType="H" id="a33" x3="-0.1390" y3="3.9420" z3="0.0250"/>
                  <atom elementType="H" id="a34" x3="-4.6010" y3="0.3150" z3="-1.4760"/>
                  <atom elementType="H" id="a35" x3="-5.1030" y3="0.6110" z3="2.2980"/>
                  <atom elementType="H" id="a36" x3="-6.4340" y3="0.3220" z3="0.1860"/>
                  <atom elementType="H" id="a37" x3="-5.8600" y3="-1.1910" z3="0.8750"/>
                  <atom elementType="H" id="a38" x3="-3.7280" y3="-2.3740" z3="-0.2900"/>
                  <atom elementType="H" id="a39" x3="-2.9970" y3="-1.5020" z3="-1.6440"/>
                  <atom elementType="H" id="a40" x3="-2.6000" y3="0.3330" z3="2.1470"/>
                  <atom elementType="H" id="a41" x3="-3.4850" y3="-1.1890" z3="2.1130"/>
                  <atom elementType="H" id="a42" x3="3.8510" y3="1.7270" z3="-0.5050"/>
                  <atom elementType="H" id="a43" x3="-5.2780" y3="-1.6570" z3="-2.7960"/>
                  <atom elementType="H" id="a44" x3="-6.0360" y3="-2.3830" z3="-1.3680"/>
                  <atom elementType="H" id="a45" x3="-6.6830" y3="-0.8810" z3="-2.0500"/>
                  <atom elementType="H" id="a46" x3="-1.4450" y3="-2.9410" z3="0.6750"/>
                  <atom elementType="H" id="a47" x3="0.9680" y3="-3.3230" z3="0.6470"/>
                  <atom elementType="H" id="a48" x3="-3.7670" y3="1.7750" z3="-0.0380"/>
                  <atom elementType="H" id="a49" x3="-3.7340" y3="2.3410" z3="1.4830"/>
                  <atom elementType="H" id="a50" x3="-2.2460" y3="1.2780" z3="-1.8750"/>
                  <atom elementType="H" id="a51" x3="-0.5270" y3="1.4910" z3="-2.2780"/>
                  <atom elementType="H" id="a52" x3="-1.4860" y3="2.8600" z3="-1.6590"/>
               </atomArray>
               <bondArray/>
               <formula concise="C20H25N3O4"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">346.23169999999976</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=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.996,1.457,-.234;3.388,-2.619,.403;5.641,-1.663,-.53;6.033,.473,.188;1.888,1.109,-.284;-2.673,-.635,.255;-4.318,1.837,.816;-5.272,2.395,.63;1.475,2.508,-.546;2.025,3.63,.268;.585,3.231,.407;-4.833,-.615,-.943;-4.599,.495,1.331;-5.529,-.268,.381;-3.521,-1.373,-.688;-3.288,-.273,1.542;.972,.048,-.033;-1.287,-.829,.236;-.419,.238,-.014;3.245,.852,-.288;1.464,-1.253,.208;-5.761,-1.433,-1.839;-.782,-2.104,.472;3.815,-.34,-.072;.593,-2.321,.46;2.929,-1.502,.198;5.275,-.432,-.112;-1.321,1.782,-1.583;1.365,2.707,-1.607;2.244,4.562,-.238;2.682,3.411,1.101;.325,2.802,1.368;-.139,3.942,.025;-4.601,.315,-1.476;-5.103,.611,2.298;-6.434,.322,.186;-5.86,-1.191,.875;-3.728,-2.374,-.29;-2.997,-1.502,-1.644;-2.6,.333,2.147;-3.485,-1.189,2.113;3.851,1.727,-.505;-5.278,-1.657,-2.796;-6.036,-2.383,-1.368;-6.683,-.881,-2.05;-1.445,-2.941,.675;.968,-3.323,.647;-3.767,1.775,-.038;-3.734,2.341,1.483;-2.246,1.278,-1.875;-.527,1.491,-2.278;-1.486,2.86,-1.659;</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="3">/usr/local/g16/l1.exe "/home/sgervasoni/nemonoxacin_0/geom/Gau-1720756.inp" -scrdir="/home/sgervasoni/nemonoxacin_0/geom/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">NProcShared=48</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Mem=54Gb</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">Chk=mol</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#N B3LYP/6-31G(d,p) SCF(Conver=8) SCRF=(PCM,Solvent=Water) Opt(Tight)</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=8,8=3,13=1,38=5,53=1/2,8</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=8,8=3,13=1,38=5,53=1/2,8</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">NEW-compound opt 6-31G**</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="55">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 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="55">1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 9 9 9 10 10 10 11 11 12 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 20 20 21 21 22 22 22 23 23 24 24 25 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="55">19 28 26 27 27 9 17 20 15 16 18 8 13 48 49 10 11 29 11 30 31 32 33 14 15 22 34 14 16 35 36 37 38 39 40 41 19 21 19 23 24 42 25 26 43 44 45 25 46 26 27 47 50 51 52</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="55">1.3665 1.4251 1.2249 1.3506 1.218 1.482 1.424 1.3811 1.4673 1.4716 1.3996 1.1207 1.4646 1.0182 1.0198 1.4913 1.491 1.0851 1.5007 1.0829 1.0833 1.084 1.0843 1.5355 1.5365 1.5275 1.0967 1.5328 1.534 1.0966 1.0978 1.098 1.0969 1.0978 1.0985 1.0972 1.404 1.4116 1.398 1.3915 1.3388 1.0863 1.401 1.486 1.0951 1.0954 1.0951 1.3921 1.0869 1.486 1.4634 1.0861 1.0931 1.0946 1.0932</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="55">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="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="100">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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="100">19 9 9 17 15 15 16 8 8 8 13 13 48 5 5 5 10 11 9 9 11 11 30 9 9 10 10 32 14 14 14 15 15 22 7 7 7 14 14 16 12 12 12 13 13 36 6 6 6 12 12 38 6 6 6 13 13 40 5 5 19 6 6 19 1 1 17 5 5 24 17 17 25 12 12 12 43 43 44 18 18 25 20 20 26 21 21 23 2 2 21 3 3 4 1 1 1 50 50 51</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="100">1 5 5 5 6 6 6 7 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="100">28 17 20 20 16 18 18 13 48 49 48 49 49 10 11 29 29 29 30 31 30 31 31 32 33 32 33 33 15 22 34 22 34 34 14 16 35 16 35 35 13 36 37 36 37 37 12 38 39 38 39 39 13 40 41 40 41 41 19 21 21 19 23 23 17 18 18 24 42 42 25 26 26 43 44 45 44 45 45 25 46 46 26 27 27 23 47 47 21 24 24 4 24 24 50 51 52 51 52 52</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="100">116.8797 123.7275 116.6761 119.5963 116.3755 119.5945 117.3745 110.5631 110.5945 110.4843 110.0564 109.4345 105.5912 120.7266 120.7368 111.9767 115.6658 118.3946 117.8443 119.426 117.7859 117.1926 114.246 121.1908 119.4311 114.6747 115.7055 114.3102 110.819 110.575 108.8627 110.6053 108.5632 107.3109 110.7672 110.0682 107.5368 110.7668 108.6825 108.9328 111.8315 109.9962 109.5495 110.0436 108.8147 106.451 110.6105 109.5637 110.0542 110.442 108.7244 107.3861 111.1018 110.8325 108.953 109.5632 109.6397 106.6422 122.6047 119.5104 117.8849 120.762 118.9517 120.2863 122.4706 116.5818 120.9476 125.6985 113.5045 120.7905 121.104 119.7932 119.1027 110.7439 111.3913 110.768 108.0032 107.8212 107.976 119.9886 121.0575 118.9522 118.1441 118.4447 123.4112 119.7884 121.3058 118.9057 121.4053 121.3371 117.2576 125.7894 109.6406 124.57 109.9184 112.0221 108.9717 108.762 107.9607 109.117</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="100">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|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="141">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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="141">28 28 19 19 19 17 17 17 20 20 20 9 9 20 20 9 9 17 17 16 16 16 18 18 18 15 15 15 18 18 18 15 15 16 16 8 8 8 48 48 48 49 49 49 5 5 29 29 5 5 29 29 30 30 31 31 15 15 15 22 22 22 34 34 34 14 14 14 22 22 22 34 34 34 14 14 14 15 15 15 34 34 34 7 7 7 16 16 16 35 35 35 7 7 7 14 14 14 35 35 35 5 5 21 21 5 5 19 19 6 6 23 23 6 6 19 19 5 5 42 42 17 17 26 26 17 17 25 25 18 18 46 46 20 20 27 27 20 20 26 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="141">1 1 1 1 1 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 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 23 23 23 23 24 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="141">19 19 28 28 28 9 9 9 9 9 9 17 17 17 17 20 20 20 20 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 13 13 13 13 13 13 13 13 13 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 22 22 22 22 22 22 22 22 22 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 21 21 21 21 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 25 25 25 25 26 26 26 26 27 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="141">17 18 50 51 52 10 11 29 10 11 29 19 21 19 21 24 42 24 42 12 38 39 12 38 39 13 40 41 13 40 41 19 23 19 23 14 16 35 14 16 35 14 16 35 30 31 30 31 32 33 32 33 32 33 32 33 13 36 37 13 36 37 13 36 37 6 38 39 6 38 39 6 38 39 43 44 45 43 44 45 43 44 45 12 36 37 12 36 37 12 36 37 6 40 41 6 40 41 6 40 41 1 18 1 18 25 26 25 26 1 17 1 17 25 46 25 46 26 27 26 27 23 47 23 47 2 24 2 24 21 47 21 47 2 21 2 21 3 4 3 4</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="141">90.0952 -89.9584 78.6516 -42.3854 -163.2235 125.7702 54.1053 -92.6751 -54.1216 -125.7866 87.433 0.1051 -179.9111 179.9939 -0.0223 179.9152 -1.0126 0.0187 179.0909 54.2915 -67.6904 174.4498 -155.0328 82.9853 -34.8744 -54.0705 -176.1342 66.8225 154.5862 32.5226 -84.5207 120.1402 -59.9359 -89.4701 90.4537 55.4878 178.3246 -63.1395 -66.9851 55.8517 174.3876 177.4061 -59.7572 58.7788 142.1344 -4.0851 1.9041 -144.3154 7.99 -145.4042 152.7137 -0.6805 -139.2186 -2.8363 3.2079 139.5901 54.2019 176.7957 -66.5239 177.2197 -60.1865 56.4939 -65.1273 57.4665 174.1469 -52.6347 68.83 -173.5858 -175.635 -54.1702 63.4139 66.8745 -171.6608 -54.0766 178.3394 -61.4415 58.7596 -58.5188 61.7003 -178.0986 59.7382 179.9574 -59.8416 68.7244 -53.8424 -170.1233 -53.7062 -176.273 67.4461 -173.3448 64.0885 -52.1925 -70.9624 51.8362 168.5496 51.8745 174.6731 -68.6135 171.3628 -65.8386 50.8748 -0.0668 179.9891 179.9492 0.0051 179.932 0.0239 -0.0835 -179.9915 0.0056 179.9529 -179.9172 0.0301 -179.9116 -0.3834 0.0126 179.5408 -0.0155 -179.941 -179.025 1.0495 0.1268 -179.9262 -179.9645 -0.0175 -179.9776 -0.0205 0.1125 -179.9304 -0.0899 179.9618 -179.6281 0.4237 179.9728 0.0157 -0.1057 179.9372 -149.957 29.9876 30.1217 -149.9337</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="141">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|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>
                  </module>
               </module>
               <module cmlx:templateRef="l301.basis" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">52</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 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 67 out of a maximum of 306</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="eigenvaluelist" dataType="xsd:double" dictRef="" size="150">0.00163 0.00239 0.00400 0.00465 0.00537 0.00575 0.00669 0.00806 0.00873 0.01042 0.01112 0.01273 0.01603 0.01707 0.01936 0.01978 0.02046 0.02129 0.02142 0.02184 0.02214 0.02240 0.02389 0.02492 0.02630 0.02837 0.02871 0.03202 0.03290 0.03428 0.03640 0.03827 0.03961 0.04118 0.04440 0.04540 0.04680 0.04793 0.04924 0.04950 0.05373 0.05541 0.05566 0.05639 0.05770 0.05989 0.06145 0.06596 0.08021 0.08430 0.08583 0.08840 0.09048 0.09579 0.10230 0.10396 0.10513 0.10657 0.11137 0.12471 0.13839 0.14273 0.14979 0.15365 0.15526 0.15655 0.15764 0.15932 0.15959 0.16000 0.16010 0.16036 0.16073 0.16248 0.16290 0.16428 0.16595 0.17312 0.17936 0.19347 0.20096 0.20782 0.22410 0.23342 0.23869 0.24421 0.24625 0.24636 0.25176 0.26215 0.26645 0.27035 0.27172 0.27546 0.28208 0.28444 0.29643 0.29830 0.30290 0.30416 0.32168 0.32543 0.33121 0.33799 0.33883 0.33917 0.33966 0.33983 0.34003 0.34045 0.34097 0.34195 0.34228 0.34237 0.34287 0.34336 0.34448 0.34669 0.34731 0.34904 0.35235 0.35344 0.35482 0.35508 0.35605 0.35650 0.35687 0.36243 0.36644 0.37489 0.38762 0.39747 0.40570 0.41484 0.41804 0.43819 0.44366 0.44482 0.44645 0.45694 0.46480 0.47658 0.48245 0.50587 0.52160 0.54818 0.58118 0.69200 0.90931 0.95166</array>
                  </module>
                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-7.30567863e-13</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="296">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 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
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                        <array dataType="xsd:double" dictRef="cc:distance" size="55">1.3854 1.4415 1.2429 1.2557 1.2649 1.4592 1.399 1.3692 1.4716 1.4727 1.4241 1.0231 1.5204 1.0301 1.0231 1.5086 1.5019 1.0848 1.5079 1.0852 1.0848 1.0853 1.0848 1.5415 1.5378 1.5321 1.0987 1.5306 1.529 1.0907 1.0959 1.0968 1.104 1.0927 1.0911 1.1004 1.4179 1.4172 1.4042 1.4075 1.3671 1.0826 1.4027 1.4924 1.0945 1.0957 1.0943 1.3826 1.0837 1.4573 1.5437 1.0842 1.0959 1.0947 1.0914</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="55">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="100">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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="100">19 9 9 17 15 15 16 8 8 8 13 13 48 5 5 5 10 11 9 9 11 11 30 9 9 10 10 32 14 14 14 15 15 22 7 7 7 14 14 16 12 12 12 13 13 36 6 6 6 12 12 38 6 6 6 13 13 40 5 5 19 6 6 19 1 1 17 5 5 24 17 17 25 12 12 12 43 43 44 18 18 25 20 20 26 21 21 23 2 2 21 3 3 4 1 1 1 50 50 51</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="100">1 5 5 5 6 6 6 7 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="100">28 17 20 20 16 18 18 13 48 49 48 49 49 10 11 29 29 29 30 31 30 31 31 32 33 32 33 33 15 22 34 22 34 34 14 16 35 16 35 35 13 36 37 36 37 37 12 38 39 38 39 39 13 40 41 40 41 41 19 21 21 19 23 23 17 18 18 24 42 42 25 26 26 43 44 45 44 45 45 25 46 46 26 27 27 23 47 47 21 24 24 4 24 24 50 51 52 51 52 52</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="100">112.3692 122.9226 117.9077 118.7092 111.3309 117.5236 114.2165 113.1727 109.5323 107.7777 107.2645 111.4071 107.5414 118.7333 119.5204 114.3395 116.5906 117.0679 116.9718 118.3651 119.1195 117.3921 114.5392 117.242 117.2724 117.0966 119.5219 114.7837 110.515 111.0484 108.8631 111.261 107.1437 107.8639 110.6401 105.7522 106.4655 111.2613 111.1374 111.346 113.3334 110.8077 109.3433 110.5315 106.0958 106.3806 110.1832 111.461 108.528 109.3774 109.547 107.6906 108.2784 109.4201 111.9774 110.7167 108.5932 107.8658 122.9606 118.1624 118.8473 117.9957 122.6313 119.3572 121.202 118.2122 120.5634 126.7879 115.5147 117.6855 118.988 122.4757 118.5165 111.0025 111.037 110.8638 108.0171 107.8974 107.8875 119.8645 120.0419 120.0812 118.1099 116.1505 125.7136 121.7495 117.0816 121.1547 119.4704 125.9018 114.6276 127.0069 117.5334 115.4377 110.7758 111.2618 106.5018 108.8783 110.0415 109.3547</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="100">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="140">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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="140">28 28 19 19 19 17 17 17 20 20 20 9 9 20 20 9 9 17 17 16 16 16 18 18 18 15 15 15 18 18 18 15 15 16 16 8 8 8 48 48 48 49 49 49 5 5 29 29 5 5 29 29 30 30 31 31 15 15 15 22 22 22 34 34 34 14 14 14 22 22 22 34 34 34 14 14 14 15 15 15 34 34 34 7 7 7 16 16 16 35 35 35 7 7 7 14 14 14 35 35 35 5 5 21 21 5 5 19 19 6 6 23 23 6 6 19 19 5 5 42 42 17 17 26 26 17 17 25 25 18 18 46 46 20 20 27 27 20 20 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="140">1 1 1 1 1 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 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 23 23 23 23 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="140">19 19 28 28 28 9 9 9 9 9 9 17 17 17 17 20 20 20 20 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 13 13 13 13 13 13 13 13 13 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 22 22 22 22 22 22 22 22 22 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 21 21 21 21 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 25 25 25 25 26 26 26 26 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="140">17 18 50 51 52 10 11 29 10 11 29 19 21 19 21 24 42 24 42 12 38 39 12 38 39 13 40 41 13 40 41 19 23 19 23 14 16 35 14 16 35 14 16 35 30 31 30 31 32 33 32 33 32 33 32 33 13 36 37 13 36 37 13 36 37 6 38 39 6 38 39 6 38 39 43 44 45 43 44 45 43 44 45 12 36 37 12 36 37 12 36 37 6 40 41 6 40 41 6 40 41 1 18 1 18 25 26 25 26 1 17 1 17 25 46 25 46 26 27 26 27 23 47 23 47 2 24 2 24 21 47 21 47 2 21 2 21 3 4 3</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="140">80.8441 -97.4397 61.6945 -59.5681 -178.6574 129.7122 59.7456 -86.3617 -42.3907 -112.3573 101.5354 20.2122 -161.7944 -167.745 10.2484 167.6496 -11.0606 -4.7945 176.4954 64.0891 -57.5349 -175.967 -161.4806 76.8954 -41.5367 -65.2008 174.0376 54.4954 158.7775 38.0159 -81.5263 155.4658 -23.0746 -71.3675 110.0921 41.6655 162.2537 -79.2081 -79.2561 41.3321 159.8703 163.3025 -76.1093 42.4289 140.9647 -2.5828 -2.1688 -145.7164 0.9899 -141.7488 146.1998 3.4611 -146.5655 -0.3771 -1.0699 145.1185 46.9755 171.9028 -71.1515 170.9518 -64.1209 52.8248 -70.4396 54.4876 171.4333 -53.0646 69.7894 -172.3904 -176.9184 -54.0645 63.7557 65.4041 -171.7419 -53.9217 178.0603 -61.7658 58.1525 -58.3892 61.7847 -178.2971 58.8511 179.025 -61.0567 67.8386 -57.2375 -172.1667 -49.41 -174.4861 70.5847 -174.104 60.8199 -54.1094 -63.4833 56.4695 174.7174 56.6992 176.652 -65.1001 -178.7241 -58.7713 59.4765 9.1639 -172.5924 -168.8164 9.4273 175.5226 -6.1218 -6.3996 171.9561 -5.9834 175.7213 172.6063 -5.6889 177.4187 -1.2997 -1.1027 -179.821 -5.3511 176.3977 173.3343 -4.9168 -0.2878 -178.9283 -178.7091 2.6505 176.3331 -3.4816 -5.3038 174.8815 4.1152 -177.2993 -177.167 1.4186 -170.8843 8.9165 7.1822 -173.017 -165.5253 12.8881 16.3746</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="140">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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>
               </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="O" id="a1" x3="-0.9960" y3="1.4570" z3="-0.2340">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.3880" y3="-2.6190" z3="0.4030">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.6410" y3="-1.6630" z3="-0.5300">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="6.0330" y3="0.4730" z3="0.1880">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.8880" y3="1.1090" z3="-0.2840">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.6730" y3="-0.6350" z3="0.2550">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.3180" y3="1.8370" z3="0.8160">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.2720" y3="2.3950" z3="0.6300">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.4750" y3="2.5080" z3="-0.5460">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.0250" y3="3.6300" z3="0.2680">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.5850" y3="3.2310" z3="0.4070">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-4.8330" y3="-0.6150" z3="-0.9430">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.5990" y3="0.4950" z3="1.3310">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.5290" y3="-0.2680" z3="0.3810">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.5210" y3="-1.3730" z3="-0.6880">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.2880" y3="-0.2730" z3="1.5420">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.9720" y3="0.0480" z3="-0.0330">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.2870" y3="-0.8290" z3="0.2360">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.4190" y3="0.2380" z3="-0.0140">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.2450" y3="0.8520" z3="-0.2880">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.4640" y3="-1.2530" z3="0.2080">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-5.7610" y3="-1.4330" z3="-1.8390">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.7820" y3="-2.1040" z3="0.4720">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.8150" y3="-0.3400" z3="-0.0720">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.5930" y3="-2.3210" z3="0.4600">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.9290" y3="-1.5020" z3="0.1980">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="5.2750" y3="-0.4320" z3="-0.1120">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a28" x3="-1.3210" y3="1.7820" z3="-1.5830">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="1.3650" y3="2.7070" z3="-1.6070">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="2.2440" y3="4.5620" z3="-0.2380">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="2.6820" y3="3.4110" z3="1.1010">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="0.3250" y3="2.8020" z3="1.3680">
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                           <atom elementType="H" id="a33" x3="-0.1390" y3="3.9420" z3="0.0250">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a34" x3="-4.6010" y3="0.3150" z3="-1.4760">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.1030" y3="0.6110" z3="2.2980">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.4340" y3="0.3220" z3="0.1860">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-5.8600" y3="-1.1910" z3="0.8750">
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                           <atom elementType="H" id="a38" x3="-3.7280" y3="-2.3740" z3="-0.2900">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a39" x3="-2.9970" y3="-1.5020" z3="-1.6440">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a40" x3="-2.6000" y3="0.3330" z3="2.1470">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a41" x3="-3.4850" y3="-1.1890" z3="2.1130">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a42" x3="3.8510" y3="1.7270" z3="-0.5050">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.2780" y3="-1.6570" z3="-2.7960">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a44" x3="-6.0360" y3="-2.3830" z3="-1.3680">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-6.6830" y3="-0.8810" z3="-2.0500">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-1.4450" y3="-2.9410" z3="0.6750">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="0.9680" y3="-3.3230" z3="0.6470">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-3.7670" y3="1.7750" z3="-0.0380">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.7340" y3="2.3410" z3="1.4830">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-2.2460" y3="1.2780" z3="-1.8750">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.5270" y3="1.4910" z3="-2.2780">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a52" x3="-1.4860" y3="2.8600" z3="-1.6590">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.996,1.457,-.234;3.388,-2.619,.403;5.641,-1.663,-.53;6.033,.473,.188;1.888,1.109,-.284;-2.673,-.635,.255;-4.318,1.837,.816;-5.272,2.395,.63;1.475,2.508,-.546;2.025,3.63,.268;.585,3.231,.407;-4.833,-.615,-.943;-4.599,.495,1.331;-5.529,-.268,.381;-3.521,-1.373,-.688;-3.288,-.273,1.542;.972,.048,-.033;-1.287,-.829,.236;-.419,.238,-.014;3.245,.852,-.288;1.464,-1.253,.208;-5.761,-1.433,-1.839;-.782,-2.104,.472;3.815,-.34,-.072;.593,-2.321,.46;2.929,-1.502,.198;5.275,-.432,-.112;-1.321,1.782,-1.583;1.365,2.707,-1.607;2.244,4.562,-.238;2.682,3.411,1.101;.325,2.802,1.368;-.139,3.942,.025;-4.601,.315,-1.476;-5.103,.611,2.298;-6.434,.322,.186;-5.86,-1.191,.875;-3.728,-2.374,-.29;-2.997,-1.502,-1.644;-2.6,.333,2.147;-3.485,-1.189,2.113;3.851,1.727,-.505;-5.278,-1.657,-2.796;-6.036,-2.383,-1.368;-6.683,-.881,-2.05;-1.445,-2.941,.675;.968,-3.323,.647;-3.767,1.775,-.038;-3.734,2.341,1.483;-2.246,1.278,-1.875;-.527,1.491,-2.278;-1.486,2.86,-1.659;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005930 0.1055440 0.0903529</array>
                  </module>
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               <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
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                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-52.3528 16.8861 2.4768</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">55.0645</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-232.7811 -147.4550 -145.6778</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">9.6984 -12.1314 0.2347</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-57.4765 27.8496 29.6268 9.6984 -12.1314 0.2347</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-1465.2835 93.7385 19.0110 -155.5960 304.9360 95.2088 -20.1503 14.0742 9.2531 -39.4469</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-15382.4643 -2730.7954 -765.5924 91.9823 -224.6524 9.2833 -21.6030 -87.7682 8.1976 -2467.6502 -1944.6107 -579.9062 24.7005 -76.4883 -48.2122</array>
                  </list>
               </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="O" id="a1" x3="-1.166484" y3="1.451694" z3="-0.289801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.258129" y3="-2.635441" z3="0.398883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.738096" y3="-1.536478" z3="-0.6753">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.968526" y3="0.571239" z3="0.111901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.876697" y3="1.180915" z3="-0.24894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.73843" y3="-0.634394" z3="0.244265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.388881" y3="1.820829" z3="0.755363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.284697" y3="2.359677" z3="0.555182">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.641558" y3="2.622663" z3="-0.450376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.40812" y3="3.617619" z3="0.376258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.927338" y3="3.442414" z3="0.569516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a12" x3="-4.900004" y3="-0.694911" z3="-0.956084">
                              <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="a15" x3="-3.573667" y3="-1.415895" z3="-0.674253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.356543" y3="-0.273592" z3="1.523375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.921073" y3="0.143961" z3="-0.025314">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.337674" y3="-0.81176" z3="0.23508">
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                                 <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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                           </atom>
                           <atom elementType="C" id="a22" x3="-5.815044" y3="-1.550927" z3="-1.836648">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.796322" y3="-2.073849" z3="0.484591">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a24" x3="3.786822" y3="-0.347296" z3="-0.098241">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="0.575705" y3="-2.247616" z3="0.458279">
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                           <atom elementType="C" id="a26" x3="2.88316" y3="-1.482021" z3="0.183144">
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                           <atom elementType="C" id="a27" x3="5.279112" y3="-0.410266" z3="-0.183708">
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                           <atom elementType="C" id="a28" x3="-1.505697" y3="1.665831" z3="-1.66034">
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                           <atom elementType="H" id="a29" x3="1.519968" y3="2.876792" z3="-1.499476">
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                           <atom elementType="H" id="a30" x3="2.756521" y3="4.518933" z3="-0.116595">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.063639" y3="3.258567" z3="1.162593">
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                           <atom elementType="H" id="a32" x3="0.641948" y3="3.006903" z3="1.519111">
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                           <atom elementType="H" id="a34" x3="-4.677134" y3="0.224326" z3="-1.513689">
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                           <atom elementType="H" id="a35" x3="-5.17933" y3="0.606718" z3="2.262942">
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                           <atom elementType="H" id="a42" x3="3.845201" y3="1.727865" z3="-0.478196">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-5.327815" y3="-1.794039" z3="-2.786659">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-6.076448" y3="-2.491921" z3="-1.340459">
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                           <atom elementType="H" id="a47" x3="0.993689" y3="-3.23213" z3="0.636799">
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                           <atom elementType="H" id="a48" x3="-3.83409" y3="1.745779" z3="-0.100705">
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                           <atom elementType="H" id="a49" x3="-3.815954" y3="2.358004" z3="1.41019">
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                           <atom elementType="H" id="a50" x3="-2.385224" y3="1.073845" z3="-1.936259">
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                           <atom elementType="H" id="a51" x3="-0.682666" y3="1.400522" z3="-2.330904">
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                           <atom elementType="H" id="a52" x3="-1.745048" y3="2.724124" z3="-1.785897">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.1665,1.4517,-.2898;3.2581,-2.6354,.3989;5.7381,-1.5365,-.6753;5.9685,.5712,.1119;1.8767,1.1809,-.2489;-2.7384,-.6344,.2443;-4.3889,1.8208,.7554;-5.2847,2.3597,.5552;1.6416,2.6227,-.4504;2.4081,3.6176,.3763;.9273,3.4424,.5695;-4.9,-.6949,-.9561;-4.6761,.4694,1.3009;-5.5981,-.3208,.3622;-3.5737,-1.4159,-.6743;-3.3565,-.2736,1.5234;.9211,.144,-.0253;-1.3377,-.8118,.2351;-.5005,.2851,-.0253;3.2175,.8651,-.2799;1.4303,-1.169,.2039;-5.815,-1.5509,-1.8366;-.7963,-2.0738,.4846;3.7868,-.3473,-.0982;.5757,-2.2476,.4583;2.8832,-1.482,.1831;5.2791,-.4103,-.1837;-1.5057,1.6658,-1.6603;1.52,2.8768,-1.4995;2.7565,4.5189,-.1166;3.0636,3.2586,1.1626;.6419,3.0069,1.5191;.2908,4.2554,.2388;-4.6771,.2243,-1.5137;-5.1793,.6067,2.2629;-6.5106,.2527,.1553;-5.914,-1.2317,.8844;-3.7751,-2.4153,-.2565;-3.0364,-1.5579,-1.6179;-2.6685,.3482,2.1072;-3.5559,-1.1744,2.1229;3.8452,1.7279,-.4782;-5.3278,-1.794,-2.7867;-6.0764,-2.4919,-1.3405;-6.7451,-1.0202,-2.0646;-1.4415,-2.9225,.6919;.9937,-3.2321,.6368;-3.8341,1.7458,-.1007;-3.816,2.358,1.4102;-2.3852,1.0738,-1.9363;-.6827,1.4005,-2.3309;-1.745,2.7241,-1.7859;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3942208 0.1032896 0.0884999</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="O" id="a1" x3="-1.076851" y3="1.51097" z3="-0.368241">
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                           <atom elementType="O" id="a2" x3="3.262446" y3="-2.684848" z3="0.375838">
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                           <atom elementType="O" id="a3" x3="5.851994" y3="-1.38613" z3="-0.771733">
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                           <atom elementType="O" id="a4" x3="5.872563" y3="0.687634" z3="0.07358">
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                           <atom elementType="N" id="a5" x3="1.831741" y3="1.162182" z3="-0.220908">
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                           <atom elementType="N" id="a6" x3="-2.760689" y3="-0.600607" z3="0.207903">
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                           <atom elementType="N" id="a7" x3="-4.292467" y3="1.873568" z3="0.668593">
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                           <atom elementType="H" id="a8" x3="-5.083471" y3="2.413774" z3="0.454494">
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                           <atom elementType="C" id="a9" x3="1.510151" y3="2.578853" z3="-0.363901">
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                           <atom elementType="C" id="a11" x3="0.787568" y3="3.317714" z3="0.713336">
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                           <atom elementType="C" id="a16" x3="-3.333644" y3="-0.22671" z3="1.492812">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="0.917288" y3="0.12899" z3="-0.035922">
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                           <atom elementType="C" id="a18" x3="-1.347873" y3="-0.811631" z3="0.189305">
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                           <atom elementType="C" id="a20" x3="3.170729" y3="0.853075" z3="-0.276055">
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                           <atom elementType="C" id="a21" x3="1.450492" y3="-1.178625" z3="0.178336">
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                           <atom elementType="C" id="a22" x3="-5.897101" y3="-1.632226" z3="-1.743333">
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                           <atom elementType="C" id="a23" x3="-0.790896" y3="-2.079319" z3="0.451385">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.435785" y3="2.804818" z3="-1.892674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0769,1.511,-.3682;3.2624,-2.6848,.3758;5.852,-1.3861,-.7717;5.8726,.6876,.0736;1.8317,1.1622,-.2209;-2.7607,-.6006,.2079;-4.2925,1.8736,.6686;-5.0835,2.4138,.4545;1.5102,2.5789,-.3639;2.2624,3.5792,.4869;.7876,3.3177,.7133;-4.9486,-.7373,-.9322;-4.6409,.53,1.2802;-5.6017,-.2636,.3816;-3.6192,-1.4432,-.6284;-3.3336,-.2267,1.4928;.9173,.129,-.0359;-1.3479,-.8116,.1893;-.5016,.2897,-.0747;3.1707,.8531,-.2761;1.4505,-1.1786,.1783;-5.8971,-1.6322,-1.7433;-.7909,-2.0793,.4514;3.7713,-.3745,-.1373;.5792,-2.2487,.4196;2.9078,-1.5145,.1483;5.3028,-.3815,-.2811;-1.2602,1.7342,-1.7729;1.3202,2.8677,-1.3957;2.5664,4.5059,.0079;2.9644,3.2049,1.2261;.5298,2.779,1.6177;.0647,4.0702,.4159;-4.716,.1413,-1.5513;-5.1149,.7395,2.24;-6.5055,.3208,.1714;-5.9187,-1.1317,.9681;-3.8373,-2.4227,-.157;-3.086,-1.6427,-1.5598;-2.607,.394,2.0218;-3.557,-1.0893,2.1464;3.8042,1.7119,-.447;-5.4357,-1.9445,-2.6856;-6.1614,-2.5349,-1.1815;-6.824,-1.103,-1.9847;-1.4465,-2.9177,.6624;1.0314,-3.2161,.591;-3.7486,1.7399,-.1942;-3.7068,2.4402,1.292;-2.1177,1.1689,-2.1613;-.3703,1.4482,-2.3423;-1.4358,2.8048,-1.8927;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3958201 0.1038571 0.0889478</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="O" id="a1" x3="-1.075273" y3="1.507937" z3="-0.438333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.302854" y3="-2.629074" z3="0.311755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.726998" y3="-1.435634" z3="-0.930434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.883054" y3="0.661842" z3="-0.093653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.807095" y3="1.189875" z3="-0.173003">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.763516" y3="-0.558902" z3="0.174709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.237993" y3="1.907424" z3="0.518919">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.0568" y3="2.463947" z3="0.224843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.440021" y3="2.604213" z3="-0.195487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.270971" y3="3.578506" z3="0.608405">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.851279" y3="3.261075" z3="1.012057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-4.942689" y3="-0.789485" z3="-0.936845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.622979" y3="0.610764" z3="1.203423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.590423" y3="-0.203747" z3="0.333696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.614258" y3="-1.477062" z3="-0.583525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.327129" y3="-0.155963" z3="1.456144">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.902503" y3="0.138406" z3="-0.02521">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.357585" y3="-0.790192" z3="0.17306">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.509157" y3="0.295691" z3="-0.096293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.143107" y3="0.898562" z3="-0.292878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.43226" y3="-1.166135" z3="0.170335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-5.899067" y3="-1.743329" z3="-1.660584">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.814244" y3="-2.057457" z3="0.447674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.734181" y3="-0.332974" z3="-0.213492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="0.555199" y3="-2.237122" z3="0.407272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a26" x3="2.895401" y3="-1.473221" z3="0.101537">
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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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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a29" x3="1.108812" y3="2.947215" z3="-1.172382">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a30" x3="2.492844" y3="4.533283" z3="0.142091">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a31" x3="3.070378" y3="3.180325" z3="1.224487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a32" x3="0.710095" y3="2.641395" z3="1.89106">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="0.068165" y3="3.992992" z3="0.846215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-4.706653" y3="0.032638" z3="-1.627448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.100441" y3="0.896941" z3="2.142014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.479524" y3="0.386774" z3="0.08429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.932101" y3="-1.025793" z3="0.973101">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-3.826679" y3="-2.411671" z3="-0.029794">
                              <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="a40" x3="-2.599402" y3="0.475806" z3="1.972706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a41" x3="-3.558699" y3="-1.000723" z3="2.128728">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.780404" y3="1.759071" z3="-0.441539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.442628" y3="-2.136334" z3="-2.574448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.165087" y3="-2.593495" z3="-1.02245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-6.82409" y3="-1.229854" z3="-1.940126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.479952" y3="-2.888277" z3="0.659049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="1.00528" y3="-3.208621" z3="0.571333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.659693" y3="1.700909" z3="-0.304111">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.670111" y3="2.499434" z3="1.132965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-2.06833" y3="1.085375" z3="-2.235392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.328716" y3="1.417014" z3="-2.399119">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.4472" y3="2.750914" z3="-2.011096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3951611 0.1048358 0.0896300</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="O" id="a1" x3="-1.046609" y3="1.52751" z3="-0.480458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.302609" y3="-2.605936" z3="0.295623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.616065" y3="-1.410105" z3="-1.177046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.855981" y3="0.696412" z3="-0.398885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.816686" y3="1.204107" z3="-0.147195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.756105" y3="-0.502311" z3="0.126594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.190858" y3="1.9430" z3="0.322681">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-5.0054" y3="2.462264" z3="-0.065255">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.414078" y3="2.605781" z3="-0.054602">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.225334" y3="3.543503" z3="0.8076">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a11" x3="0.839586" y3="3.133993" z3="1.226345">
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                           <atom elementType="C" id="a12" x3="-4.946857" y3="-0.845158" z3="-0.920055">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a13" x3="-4.598841" y3="0.711627" z3="1.109157">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.577321" y3="-0.149176" z3="0.301855">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.6096" y3="-1.497734" z3="-0.528531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.306648" y3="-0.051028" z3="1.403009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.91099" y3="0.144128" z3="-0.038117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.354311" y3="-0.757596" z3="0.143262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49568" y3="0.312494" z3="-0.123333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.149223" y3="0.9209" z3="-0.293049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.42441" y3="-1.162264" z3="0.14986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a22" x3="-5.914438" y3="-1.862328" z3="-1.529341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.829665" y3="-2.031733" z3="0.416477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.720432" y3="-0.317782" z3="-0.256114">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="0.53715" y3="-2.228483" z3="0.377095">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.884626" y3="-1.457217" z3="0.069468">
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                           <atom elementType="C" id="a27" x3="5.234636" y3="-0.39671" z3="-0.531401">
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                           <atom elementType="C" id="a28" x3="-1.189278" y3="1.694765" z3="-1.902642">
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                           <atom elementType="H" id="a29" x3="1.024512" y3="3.014319" z3="-0.981264">
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                           <atom elementType="H" id="a30" x3="2.390148" y3="4.544406" z3="0.423854">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.053786" y3="3.133769" z3="1.374573">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="0.752426" y3="2.433517" z3="2.051507">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="0.020957" y3="3.840761" z3="1.145242">
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                           <atom elementType="H" id="a34" x3="-4.724822" y3="-0.089253" z3="-1.686137">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-5.072101" y3="1.081472" z3="2.020437">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.456548" y3="0.436088" z3="0.011219">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-5.935194" y3="-0.915606" z3="1.001722">
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                           <atom elementType="H" id="a38" x3="-3.803708" y3="-2.369485" z3="0.122117">
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                           <atom elementType="H" id="a41" x3="-3.536247" y3="-0.878563" z3="2.094938">
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                           <atom elementType="H" id="a42" x3="3.797246" y3="1.778056" z3="-0.418309">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a43" x3="-5.474489" y3="-2.337218" z3="-2.411822">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-6.164361" y3="-2.65003" z3="-0.809555">
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                           <atom elementType="H" id="a45" x3="-6.847005" y3="-1.378365" z3="-1.835605">
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                           <atom elementType="H" id="a46" x3="-1.506276" y3="-2.854768" z3="0.623462">
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                           <atom elementType="H" id="a47" x3="0.976869" y3="-3.207626" z3="0.535883">
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                           <atom elementType="H" id="a48" x3="-3.56872" y3="1.651453" z3="-0.439966">
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                           <atom elementType="H" id="a49" x3="-3.656165" y3="2.591237" z3="0.906647">
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                           <atom elementType="H" id="a50" x3="-1.981899" y3="1.045595" z3="-2.290435">
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                           <atom elementType="H" id="a51" x3="-0.256404" y3="1.461609" z3="-2.426271">
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                           <atom elementType="H" id="a52" x3="-1.450121" y3="2.74106" z3="-2.072608">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0466,1.5275,-.4805;3.3026,-2.6059,.2956;5.6161,-1.4101,-1.177;5.856,.6964,-.3989;1.8167,1.2041,-.1472;-2.7561,-.5023,.1266;-4.1909,1.943,.3227;-5.0054,2.4623,-.0653;1.4141,2.6058,-.0546;2.2253,3.5435,.8076;.8396,3.134,1.2263;-4.9469,-.8452,-.9201;-4.5988,.7116,1.1092;-5.5773,-.1492,.3019;-3.6096,-1.4977,-.5285;-3.3066,-.051,1.403;.911,.1441,-.0381;-1.3543,-.7576,.1433;-.4957,.3125,-.1233;3.1492,.9209,-.293;1.4244,-1.1623,.1499;-5.9144,-1.8623,-1.5293;-.8297,-2.0317,.4165;3.7204,-.3178,-.2561;.5372,-2.2285,.3771;2.8846,-1.4572,.0695;5.2346,-.3967,-.5314;-1.1893,1.6948,-1.9026;1.0245,3.0143,-.9813;2.3901,4.5444,.4239;3.0538,3.1338,1.3746;.7524,2.4335,2.0515;.021,3.8408,1.1452;-4.7248,-.0893,-1.6861;-5.0721,1.0815,2.0204;-6.4565,.4361,.0112;-5.9352,-.9156,1.0017;-3.8037,-2.3695,.1221;-3.0962,-1.8638,-1.4222;-2.5809,.5975,1.9026;-3.5362,-.8786,2.0949;3.7972,1.7781,-.4183;-5.4745,-2.3372,-2.4118;-6.1644,-2.65,-.8096;-6.847,-1.3784,-1.8356;-1.5063,-2.8548,.6235;.9769,-3.2076,.5359;-3.5687,1.6515,-.44;-3.6562,2.5912,.9066;-1.9819,1.0456,-2.2904;-.2564,1.4616,-2.4263;-1.4501,2.7411,-2.0726;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3955062 0.1058349 0.0904111</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="O" id="a1" x3="-1.06362" y3="1.545679" z3="-0.509165">
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                           <atom elementType="O" id="a2" x3="3.279051" y3="-2.590392" z3="0.252561">
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                           <atom elementType="O" id="a3" x3="5.650746" y3="-1.453487" z3="-1.112438">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.907278" y3="0.656091" z3="-0.349825">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.825075" y3="1.230868" z3="-0.16171">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a6" x3="-2.75969" y3="-0.477207" z3="0.089304">
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.190071" y3="1.949746" z3="0.215164">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-4.98875" y3="2.4241" z3="-0.212343">
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.434369" y3="2.627831" z3="0.00017">
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.244024" y3="3.512342" z3="0.918212">
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                           </atom>
                           <atom elementType="C" id="a11" x3="0.859289" y3="3.082452" z3="1.31201">
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                           <atom elementType="C" id="a12" x3="-4.972042" y3="-0.883481" z3="-0.894842">
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                           <atom elementType="C" id="a14" x3="-5.583132" y3="-0.139219" z3="0.30799">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.911976" y3="0.169671" z3="-0.07448">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.355448" y3="-0.736977" z3="0.104654">
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                           <atom elementType="C" id="a19" x3="-0.49892" y3="0.335254" z3="-0.156371">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.155172" y3="0.945709" z3="-0.31278">
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                           <atom elementType="C" id="a21" x3="1.420772" y3="-1.140743" z3="0.10154">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-5.94651" y3="-1.933227" z3="-1.434459">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.829715" y3="-2.01448" z3="0.362768">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.716892" y3="-0.297266" z3="-0.302693">
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                           <atom elementType="H" id="a32" x3="0.777662" y3="2.341195" z3="2.101825">
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                           </atom>
                           <atom elementType="H" id="a33" x3="0.043853" y3="3.796628" z3="1.274572">
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                           </atom>
                           <atom elementType="H" id="a34" x3="-4.771509" y3="-0.1610" z3="-1.697892">
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                           </atom>
                           <atom elementType="H" id="a35" x3="-5.056992" y3="1.164292" z3="1.963025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-6.464547" y3="0.435691" z3="0.004572">
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                           </atom>
                           <atom elementType="H" id="a37" x3="-5.93646" y3="-0.876468" z3="1.041799">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.511509" y3="-0.813789" z3="2.070388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.80929" y3="1.801102" z3="-0.422411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.523988" y3="-2.444876" z3="-2.304891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.173806" y3="-2.689163" z3="-0.674245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-6.889934" y3="-1.470345" z3="-1.740313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.503306" y3="-2.84069" z3="0.564916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.975994" y3="-3.190829" z3="0.466973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.54529" y3="1.616985" z3="-0.512456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.677339" y3="2.639188" z3="0.770012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.949049" y3="1.01658" z3="-2.332765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.245424" y3="1.526452" z3="-2.444245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.513452" y3="2.737506" z3="-2.103583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0636,1.5457,-.5092;3.2791,-2.5904,.2526;5.6507,-1.4535,-1.1124;5.9073,.6561,-.3498;1.8251,1.2309,-.1617;-2.7597,-.4772,.0893;-4.1901,1.9497,.2152;-4.9887,2.4241,-.2123;1.4344,2.6278,.0002;2.244,3.5123,.9182;.8593,3.0825,1.312;-4.972,-.8835,-.8948;-4.5946,.7553,1.0633;-5.5831,-.1392,.308;-3.6218,-1.5096,-.5021;-3.2955,.0052,1.3657;.912,.1697,-.0745;-1.3554,-.737,.1047;-.4989,.3353,-.1564;3.1552,.9457,-.3128;1.4208,-1.1407,.1015;-5.9465,-1.9332,-1.4345;-.8297,-2.0145,.3628;3.7169,-.2973,-.3027;.5355,-2.2097,.3186;2.8759,-1.4371,.0202;5.2302,-.3818,-.6062;-1.1976,1.7067,-1.9342;1.0383,3.0888,-.8972;2.407,4.5362,.6001;3.0685,3.0729,1.4687;.7777,2.3412,2.1018;.0439,3.7966,1.2746;-4.7715,-.161,-1.6979;-5.057,1.1643,1.963;-6.4645,.4357,.0046;-5.9365,-.8765,1.0418;-3.7949,-2.3456,.1983;-3.1278,-1.9186,-1.3877;-2.5693,.6666,1.8469;-3.5115,-.8138,2.0704;3.8093,1.8011,-.4224;-5.524,-2.4449,-2.3049;-6.1738,-2.6892,-.6742;-6.8899,-1.4703,-1.7403;-1.5033,-2.8407,.5649;.976,-3.1908,.467;-3.5453,1.617,-.5125;-3.6773,2.6392,.77;-1.949,1.0166,-2.3328;-.2454,1.5265,-2.4442;-1.5135,2.7375,-2.1036;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3971649 0.1054331 0.0899656</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="O" id="a1" x3="-1.056263" y3="1.563532" z3="-0.516235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.280326" y3="-2.587083" z3="0.224463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.654825" y3="-1.426487" z3="-1.108096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.873124" y3="0.705203" z3="-0.394824">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.810101" y3="1.235918" z3="-0.148366">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.774224" y3="-0.473516" z3="0.046508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.200231" y3="1.940342" z3="0.096072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-4.994948" y3="2.360924" z3="-0.385451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.417498" y3="2.623344" z3="0.062568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.260385" y3="3.481791" z3="0.971886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.887761" y3="3.041714" z3="1.406463">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.016655" y3="-0.926115" z3="-0.859166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.593764" y3="0.794134" z3="1.014896">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.600397" y3="-0.133962" z3="0.327863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.65391" y3="-1.532117" z3="-0.4782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.288316" y3="0.055331" z3="1.319406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.902122" y3="0.172648" z3="-0.070414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.367722" y3="-0.73692" z3="0.058287">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.506191" y3="0.342622" z3="-0.169285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.140432" y3="0.956603" z3="-0.304752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.414018" y3="-1.140092" z3="0.080845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-5.999882" y3="-2.0006" z3="-1.333107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.840522" y3="-2.020673" z3="0.289807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.708553" y3="-0.284308" z3="-0.30783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.526273" y3="-2.213749" z3="0.257692">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.873147" y3="-1.429811" z3="0.017784">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.218854" y3="-0.352882" z3="-0.623228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.089024" y3="1.767829" z3="-1.942789">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="0.990143" y3="3.108295" z3="-0.807581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.413733" y3="4.513126" z3="0.672369">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.108903" y3="3.026067" z3="1.471104">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.835968" y3="2.280577" z3="2.179041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.073421" y3="3.758236" z3="1.419335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.840055" y3="-0.235113" z3="-1.694412">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-5.030961" y3="1.248154" z3="1.905414">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.489322" y3="0.427455" z3="0.019526">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.936721" y3="-0.837983" z3="1.100311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.805996" y3="-2.336413" z3="0.262395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.183582" y3="-1.976619" z3="-1.358977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.552008" y3="0.730295" z3="1.763088">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.490062" y3="-0.742431" z3="2.050503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.788921" y3="1.817804" z3="-0.409102">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.600782" y3="-2.543377" z3="-2.195892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.201506" y3="-2.72833" z3="-0.539065">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-6.954269" y3="-1.554106" z3="-1.629093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.511016" y3="-2.854135" z3="0.468581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.964329" y3="-3.19737" z3="0.388651">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.526185" y3="1.564323" z3="-0.585274">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.718042" y3="2.679893" z3="0.612313">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.757101" y3="1.045012" z3="-2.424266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.088289" y3="1.672217" z3="-2.376834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.459886" y3="2.781802" z3="-2.101931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3979254 0.1053293 0.0897286</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="O" id="a1" x3="-1.068971" y3="1.571062" z3="-0.483553">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.29859" y3="-2.578469" z3="0.191241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.69371" y3="-1.3716" z3="-1.127067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.838236" y3="0.772542" z3="-0.429147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.79767" y3="1.236468" z3="-0.152994">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.778369" y3="-0.485687" z3="0.028965">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.176209" y3="1.930101" z3="-0.078474">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-4.959997" y3="2.276637" z3="-0.637638">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.414654" y3="2.614268" z3="0.129892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.258228" y3="3.412672" z3="1.090207">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a11" x3="0.87012" y3="2.968375" z3="1.485726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.040921" y3="-0.970774" z3="-0.813234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.575526" y3="0.865425" z3="0.931057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.6035" y3="-0.098134" z3="0.328627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.679094" y3="-1.565187" z3="-0.416289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.274056" y3="0.136917" z3="1.271598">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.896204" y3="0.170454" z3="-0.087321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37159" y3="-0.747838" z3="0.035203">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.511836" y3="0.342053" z3="-0.169886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.129731" y3="0.961256" z3="-0.317289">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="1.418426" y3="-1.143784" z3="0.021973">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a22" x3="-6.035846" y3="-2.066225" z3="-1.212203">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.835903" y3="-2.035805" z3="0.222463">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.712172" y3="-0.274811" z3="-0.348892">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.532937" y3="-2.221997" z3="0.175126">
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                           <atom elementType="C" id="a26" x3="2.880284" y3="-1.434072" z3="-0.058545">
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                           <atom elementType="C" id="a27" x3="5.223438" y3="-0.308654" z3="-0.652066">
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                           <atom elementType="C" id="a28" x3="-1.064993" y3="1.827544" z3="-1.903226">
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                           <atom elementType="H" id="a29" x3="1.006666" y3="3.151289" z3="-0.719132">
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                           <atom elementType="H" id="a30" x3="2.430089" y3="4.455459" z3="0.842413">
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                           <atom elementType="H" id="a31" x3="3.098877" y3="2.920781" z3="1.568404">
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                           <atom elementType="H" id="a32" x3="0.796282" y3="2.167576" z3="2.213915">
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                           <atom elementType="H" id="a33" x3="0.066833" y3="3.696494" z3="1.526431">
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                           <atom elementType="H" id="a34" x3="-4.869855" y3="-0.333355" z3="-1.691163">
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                           <atom elementType="H" id="a42" x3="3.77038" y3="1.829353" z3="-0.409119">
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                           <atom elementType="H" id="a43" x3="-5.654394" y3="-2.660022" z3="-2.049046">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-6.228477" y3="-2.746294" z3="-0.374993">
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                           <atom elementType="H" id="a46" x3="-1.497302" y3="-2.880466" z3="0.377818">
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                           <atom elementType="H" id="a47" x3="0.971226" y3="-3.207945" z3="0.272135">
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                           <atom elementType="H" id="a48" x3="-3.462656" y3="1.498314" z3="-0.68821">
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                           <atom elementType="H" id="a49" x3="-3.737055" y3="2.732498" z3="0.379643">
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                           <atom elementType="H" id="a50" x3="-1.656496" y3="1.074176" z3="-2.435916">
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                           <atom elementType="H" id="a51" x3="-0.045262" y3="1.829071" z3="-2.301156">
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                           <atom elementType="H" id="a52" x3="-1.508986" y3="2.815368" z3="-2.038261">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.069,1.5711,-.4836;3.2986,-2.5785,.1912;5.6937,-1.3716,-1.1271;5.8382,.7725,-.4291;1.7977,1.2365,-.153;-2.7784,-.4857,.029;-4.1762,1.9301,-.0785;-4.96,2.2766,-.6376;1.4147,2.6143,.1299;2.2582,3.4127,1.0902;.8701,2.9684,1.4857;-5.0409,-.9708,-.8132;-4.5755,.8654,.9311;-5.6035,-.0981,.3286;-3.6791,-1.5652,-.4163;-3.2741,.1369,1.2716;.8962,.1705,-.0873;-1.3716,-.7478,.0352;-.5118,.3421,-.1699;3.1297,.9613,-.3173;1.4184,-1.1438,.022;-6.0358,-2.0662,-1.2122;-.8359,-2.0358,.2225;3.7122,-.2748,-.3489;.5329,-2.222,.1751;2.8803,-1.4341,-.0585;5.2234,-.3087,-.6521;-1.065,1.8275,-1.9032;1.0067,3.1513,-.7191;2.4301,4.4555,.8424;3.0989,2.9208,1.5684;.7963,2.1676,2.2139;.0668,3.6965,1.5264;-4.8699,-.3334,-1.6912;-4.9873,1.389,1.7948;-6.4926,.449,-.0069;-5.9328,-.7433,1.1518;-3.8255,-2.3234,.3723;-3.2252,-2.0611,-1.2774;-2.5232,.833,1.6508;-3.4735,-.6057,2.0579;3.7704,1.8294,-.4091;-5.6544,-2.66,-2.049;-6.2285,-2.7463,-.375;-6.9923,-1.6315,-1.5184;-1.4973,-2.8805,.3778;.9712,-3.2079,.2721;-3.4627,1.4983,-.6882;-3.7371,2.7325,.3796;-1.6565,1.0742,-2.4359;-.0453,1.8291,-2.3012;-1.509,2.8154,-2.0383;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4009542 0.1053482 0.0896074</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="O" id="a1" x3="-1.064504" y3="1.584018" z3="-0.474847">
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                           <atom elementType="O" id="a2" x3="3.28641" y3="-2.589751" z3="0.139428">
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                           <atom elementType="O" id="a3" x3="5.663068" y3="-1.400436" z3="-1.18796">
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                           <atom elementType="N" id="a5" x3="1.806899" y3="1.241579" z3="-0.136551">
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                           <atom elementType="N" id="a7" x3="-4.218621" y3="1.936982" z3="-0.132994">
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                           <atom elementType="H" id="a8" x3="-5.00937" y3="2.246083" z3="-0.705002">
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                           <atom elementType="C" id="a9" x3="1.439088" y3="2.62065" z3="0.169321">
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.274011" y3="3.392634" z3="1.160316">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.874915" y3="2.954558" z3="1.521277">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.280661" y3="0.183772" z3="1.254935">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.899181" y3="0.179934" z3="-0.076612">
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                           <atom elementType="C" id="a18" x3="-1.371914" y3="-0.731625" z3="0.04737">
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                           <atom elementType="C" id="a20" x3="3.13564" y3="0.958627" z3="-0.325121">
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                           <atom elementType="C" id="a21" x3="1.417405" y3="-1.136282" z3="0.025203">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.840007" y3="-2.021711" z3="0.223415">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-4.865472" y3="-0.367124" z3="-1.693528">
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                           <atom elementType="H" id="a42" x3="3.779515" y3="1.82161" z3="-0.433593">
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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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                              </property>
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                           <atom elementType="H" id="a50" x3="-1.639413" y3="1.077739" z3="-2.427487">
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                           <atom elementType="H" id="a51" x3="-0.0365" y3="1.847924" z3="-2.291222">
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                           <atom elementType="H" id="a52" x3="-1.509115" y3="2.821412" z3="-2.035216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3986344 0.1053225 0.0895326</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">
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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="N" id="a5" x3="1.810252" y3="1.239734" z3="-0.132843">
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                           <atom elementType="N" id="a6" x3="-2.778384" y3="-0.461051" z3="0.019218">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.445203" y3="2.617967" z3="0.180959">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3983876 0.1051442 0.0893186</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="O" id="a1" x3="-1.050217" y3="1.596592" z3="-0.46915">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.277938" y3="-2.593737" z3="0.090704">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.663788" y3="-1.399439" z3="-1.189553">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.848159" y3="0.755693" z3="-0.544658">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.807527" y3="1.239088" z3="-0.121861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.775755" y3="-0.463662" z3="0.012142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.258656" y3="1.92892" z3="-0.233394">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.069809" y3="2.204532" z3="-0.792273">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.438104" y3="2.6107" z3="0.21346">
                              <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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                                 <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/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
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                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
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                     <molecule cmlx:templateRef="atom" formalCharge="0" id="mol.l202.orient" spinMultiplicity="1">
                        <atomArray>
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                           <atom elementType="C" id="a15" x3="-3.668385" y3="-1.5666" z3="-0.371625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.267901" y3="0.238021" z3="1.208583">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.901477" y3="0.176652" z3="-0.087099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.374695" y3="-0.723108" z3="0.020769">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.501733" y3="0.359594" z3="-0.170014">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.139323" y3="0.962078" z3="-0.312848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.4152" y3="-1.141324" z3="-0.005013">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a22" x3="-6.021169" y3="-2.148757" z3="-1.112534">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845996" y3="-2.017258" z3="0.18164">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a24" x3="3.711533" y3="-0.277253" z3="-0.379445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.521456" y3="-2.214281" z3="0.126593">
                              <property dictRef="g:atomicType">
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                           <atom elementType="C" id="a26" x3="2.874449" y3="-1.434357" z3="-0.090804">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="5.215947" y3="-0.322661" z3="-0.718896">
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                           <atom elementType="C" id="a28" x3="-1.015479" y3="1.879595" z3="-1.887836">
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                           <atom elementType="H" id="a29" x3="1.050417" y3="3.182829" z3="-0.627898">
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                           <atom elementType="H" id="a30" x3="2.455382" y3="4.416569" z3="1.011203">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.099694" y3="2.848671" z3="1.689235">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="0.786775" y3="2.092378" z3="2.265168">
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                           <atom elementType="H" id="a33" x3="0.079718" y3="3.65014" z3="1.620692">
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                           <atom elementType="H" id="a34" x3="-4.89883" y3="-0.417364" z3="-1.686912">
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                           <atom elementType="H" id="a35" x3="-4.994582" y3="1.468173" z3="1.702599">
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                           <atom elementType="H" id="a36" x3="-6.522237" y3="0.39952" z3="-0.006666">
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                           <atom elementType="H" id="a37" x3="-5.898696" y3="-0.720669" z3="1.193268">
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                           <atom elementType="H" id="a41" x3="-3.436283" y3="-0.449638" z3="2.051004">
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                           <atom elementType="H" id="a43" x3="-5.634086" y3="-2.7714" z3="-1.925209">
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                           <atom elementType="H" id="a44" x3="-6.189827" y3="-2.793284" z3="-0.242597">
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                           <atom elementType="H" id="a46" x3="-1.511775" y3="-2.860076" z3="0.326217">
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                           <atom elementType="H" id="a47" x3="0.949063" y3="-3.207653" z3="0.205863">
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                           <atom elementType="H" id="a48" x3="-3.563042" y3="1.503992" z3="-0.842862">
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                           <atom elementType="H" id="a49" x3="-3.84084" y3="2.777286" z3="0.183246">
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                           <atom elementType="H" id="a50" x3="-1.605311" y3="1.142975" z3="-2.444497">
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                           <atom elementType="H" id="a51" x3="0.010087" y3="1.875763" z3="-2.270151">
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                           <atom elementType="H" id="a52" x3="-1.444572" y3="2.875082" z3="-2.013454">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0476,1.5959,-.4741;3.2796,-2.595,.091;5.6691,-1.3993,-1.1823;5.8483,.7566,-.5369;1.8105,1.2389,-.1226;-2.7746,-.4628,.0123;-4.2611,1.9358,-.2188;-5.0751,2.2253,-.7663;1.439,2.6107,.2081;2.2736,3.366,1.213;.8784,2.9181,1.5668;-5.0456,-1.0161,-.7775;-4.5945,.9115,.8543;-5.611,-.1066,.3312;-3.6684,-1.5666,-.3716;-3.2679,.238,1.2086;.9015,.1767,-.0871;-1.3747,-.7231,.0208;-.5017,.3596,-.17;3.1393,.9621,-.3128;1.4152,-1.1413,-.005;-6.0212,-2.1488,-1.1125;-.846,-2.0173,.1816;3.7115,-.2773,-.3794;.5215,-2.2143,.1266;2.8744,-1.4344,-.0908;5.2159,-.3227,-.7189;-1.0155,1.8796,-1.8878;1.0504,3.1828,-.6279;2.4554,4.4166,1.0112;3.0997,2.8487,1.6892;.7868,2.0924,2.2652;.0797,3.6501,1.6207;-4.8988,-.4174,-1.6869;-4.9946,1.4682,1.7026;-6.5222,.3995,-.0067;-5.8987,-.7207,1.1933;-3.7921,-2.292,.4514;-3.2221,-2.0968,-1.2166;-2.5315,.9796,1.5232;-3.4363,-.4496,2.051;3.7865,1.8262,-.3956;-5.6341,-2.7714,-1.9252;-6.1898,-2.7933,-.2426;-6.9899,-1.7486,-1.4274;-1.5118,-2.8601,.3262;.9491,-3.2077,.2059;-3.563,1.504,-.8429;-3.8408,2.7773,.1832;-1.6053,1.143,-2.4445;.0101,1.8758,-2.2702;-1.4446,2.8751,-2.0135;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3990922 0.1052522 0.0893567</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="O" id="a1" x3="-1.047018" y3="1.595799" z3="-0.46496">
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                           <atom elementType="O" id="a2" x3="3.280514" y3="-2.597844" z3="0.085653">
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                           <atom elementType="O" id="a4" x3="5.846724" y3="0.75845" z3="-0.539198">
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                           <atom elementType="N" id="a5" x3="1.81225" y3="1.237739" z3="-0.119566">
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                           <atom elementType="N" id="a6" x3="-2.774127" y3="-0.464645" z3="0.012631">
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                           <atom elementType="N" id="a7" x3="-4.260302" y3="1.937921" z3="-0.218766">
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                           <atom elementType="H" id="a8" x3="-5.077155" y3="2.242883" z3="-0.753863">
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                           <atom elementType="C" id="a9" x3="1.439557" y3="2.610297" z3="0.20544">
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                           <atom elementType="C" id="a10" x3="2.273628" y3="3.368733" z3="1.208269">
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                           <atom elementType="C" id="a17" x3="0.902791" y3="0.175427" z3="-0.083207">
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                           <atom elementType="C" id="a23" x3="-0.844931" y3="-2.019403" z3="0.17988">
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                           <atom elementType="H" id="a42" x3="3.78833" y3="1.824311" z3="-0.392765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.631403" y3="-2.777418" z3="-1.922253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.1922" y3="-2.791764" z3="-0.24127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-6.987412" y3="-1.751078" z3="-1.432662">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510286" y3="-2.862911" z3="0.32245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.949923" y3="-3.209617" z3="0.201608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.575568" y3="1.504286" z3="-0.854423">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.822994" y3="2.76992" z3="0.185015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.619583" y3="1.15271" z3="-2.433552">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="0.003722" y3="1.869139" z3="-2.265569">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.4402" y3="2.882019" z3="-1.998626">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.047,1.5958,-.465;3.2805,-2.5978,.0857;5.6736,-1.3995,-1.1787;5.8467,.7584,-.5392;1.8122,1.2377,-.1196;-2.7741,-.4646,.0126;-4.2603,1.9379,-.2188;-5.0772,2.2429,-.7539;1.4396,2.6103,.2054;2.2736,3.3687,1.2083;.8784,2.9217,1.5633;-5.0445,-1.0178,-.7795;-4.5948,.9113,.852;-5.6111,-.1055,.3262;-3.6683,-1.5685,-.3697;-3.2686,.2377,1.207;.9028,.1754,-.0832;-1.3742,-.7246,.0221;-.501,.3587,-.1649;3.1405,.9606,-.3105;1.4164,-1.1431,-.0041;-6.0201,-2.1509,-1.1133;-.8449,-2.0194,.1799;3.7122,-.2787,-.3788;.5223,-2.2161,.1253;2.8754,-1.4363,-.0921;5.217,-.3231,-.7189;-1.0198,1.8822,-1.8776;1.0499,3.1792,-.632;2.4556,4.4187,1.0035;3.0996,2.8522,1.6857;.7862,2.0977,2.2637;.0795,3.6536,1.6153;-4.896,-.4215,-1.6903;-4.9968,1.468,1.6995;-6.5208,.4016,-.0143;-5.9025,-.7181,1.1882;-3.7945,-2.2915,.4552;-3.2216,-2.1016,-1.2125;-2.5328,.9791,1.5232;-3.4384,-.4495,2.0499;3.7883,1.8243,-.3928;-5.6314,-2.7774,-1.9223;-6.1922,-2.7918,-.2413;-6.9874,-1.7511,-1.4327;-1.5103,-2.8629,.3225;.9499,-3.2096,.2016;-3.5756,1.5043,-.8544;-3.823,2.7699,.185;-1.6196,1.1527,-2.4336;.0037,1.8691,-2.2656;-1.4402,2.882,-1.9986;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3989627 0.1052621 0.0893137</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="O" id="a1" x3="-1.045988" y3="1.597605" z3="-0.464226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.280707" y3="-2.598715" z3="0.078932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.678014" y3="-1.398778" z3="-1.17243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.846172" y3="0.761615" z3="-0.539881">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.813352" y3="1.238014" z3="-0.118279">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773757" y3="-0.463695" z3="0.009136">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.263384" y3="1.938275" z3="-0.228933">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.083149" y3="2.24596" z3="-0.75807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.441066" y3="2.609891" z3="0.209901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.274259" y3="3.364462" z3="1.216298">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.877884" y3="2.917602" z3="1.567817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.045763" y3="-1.020913" z3="-0.77641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.594189" y3="0.9151" z3="0.84636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.610752" y3="-0.10433" z3="0.326611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.668633" y3="-1.569381" z3="-0.366634">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.266713" y3="0.243954" z3="1.201329">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.90353" y3="0.175917" z3="-0.084674">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373905" y3="-0.723708" z3="0.018345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.500217" y3="0.359819" z3="-0.166153">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.141575" y3="0.960712" z3="-0.308937">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.416934" y3="-1.142856" z3="-0.008531">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.021277" y3="-2.156101" z3="-1.103551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.844783" y3="-2.019089" z3="0.172815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.713328" y3="-0.278593" z3="-0.379124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.522389" y3="-2.215898" z3="0.118045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.875917" y3="-1.43656" z3="-0.096142">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.218767" y3="-0.321791" z3="-0.716942">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.020864" y3="1.885052" z3="-1.876517">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.05331" y3="3.181657" z3="-0.626404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.457695" y3="4.414921" z3="1.015205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.099076" y3="2.845493" z3="1.693031">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.783531" y3="2.091492" z3="2.265347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.079588" y3="3.650199" z3="1.620814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.899343" y3="-0.428406" z3="-1.690041">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.994893" y3="1.474707" z3="1.692477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.521336" y3="0.400885" z3="-0.0146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.900585" y3="-0.713314" z3="1.191606">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.793106" y3="-2.288632" z3="0.461745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.223472" y3="-2.106104" z3="-1.207948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.530721" y3="0.986844" z3="1.513238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.434696" y3="-0.439856" z3="2.047244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.789827" y3="1.824218" z3="-0.388978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.633597" y3="-2.786069" z3="-1.910327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.19161" y3="-2.793055" z3="-0.228385">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-6.989272" y3="-1.758192" z3="-1.423206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510029" y3="-2.862996" z3="0.313394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.949665" y3="-3.209612" z3="0.192224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.585198" y3="1.501269" z3="-0.868972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.819212" y3="2.768901" z3="0.170325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.622361" y3="1.156581" z3="-2.432164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="0.00182" y3="1.871149" z3="-2.266602">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.440601" y3="2.885351" z3="-1.99618">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3990980 0.1052388 0.0892788</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="O" id="a1" x3="-1.045356" y3="1.598471" z3="-0.463887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.280056" y3="-2.600503" z3="0.07359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.683681" y3="-1.399035" z3="-1.160425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.846168" y3="0.763823" z3="-0.53505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.814149" y3="1.237767" z3="-0.118067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773602" y3="-0.463212" z3="0.006669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.264849" y3="1.939373" z3="-0.230279">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.086482" y3="2.251285" z3="-0.754083">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.44217" y3="2.609829" z3="0.209864">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.274908" y3="3.36395" z3="1.216956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.877881" y3="2.917672" z3="1.567362">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.046563" y3="-1.021966" z3="-0.775274">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.593612" y3="0.916034" z3="0.845442">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.610449" y3="-0.103973" z3="0.327203">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.668897" y3="-1.569684" z3="-0.36653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.265568" y3="0.245547" z3="1.199253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.904021" y3="0.175942" z3="-0.085918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.373645" y3="-0.723513" z3="0.015604">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.499738" y3="0.360251" z3="-0.167157">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.142537" y3="0.960006" z3="-0.306992">
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                           <atom elementType="C" id="a21" x3="1.417261" y3="-1.143031" z3="-0.011578">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.022235" y3="-2.157917" z3="-1.099456">
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                           <atom elementType="C" id="a23" x3="-0.844803" y3="-2.019303" z3="0.167492">
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                           <atom elementType="C" id="a24" x3="3.714659" y3="-0.279236" z3="-0.377111">
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                           <atom elementType="C" id="a25" x3="0.522384" y3="-2.216064" z3="0.112741">
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                           <atom elementType="C" id="a26" x3="2.876237" y3="-1.437466" z3="-0.098209">
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                           <atom elementType="H" id="a30" x3="2.459059" y3="4.414392" z3="1.016266">
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                           <atom elementType="H" id="a31" x3="3.099175" y3="2.844655" z3="1.694276">
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                           <atom elementType="H" id="a32" x3="0.782379" y3="2.09155" z3="2.264657">
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                           <atom elementType="H" id="a49" x3="-3.814896" y3="2.76749" z3="0.167913">
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                           <atom elementType="H" id="a50" x3="-1.625375" y3="1.156623" z3="-2.430585">
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                           <atom elementType="H" id="a51" x3="-0.001414" y3="1.872205" z3="-2.26846">
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                           <atom elementType="H" id="a52" x3="-1.443937" y3="2.885577" z3="-1.995426">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0454,1.5985,-.4639;3.2801,-2.6005,.0736;5.6837,-1.399,-1.1604;5.8462,.7638,-.5351;1.8141,1.2378,-.1181;-2.7736,-.4632,.0067;-4.2648,1.9394,-.2303;-5.0865,2.2513,-.7541;1.4422,2.6098,.2099;2.2749,3.3639,1.217;.8779,2.9177,1.5674;-5.0466,-1.022,-.7753;-4.5936,.916,.8454;-5.6104,-.104,.3272;-3.6689,-1.5697,-.3665;-3.2656,.2455,1.1993;.904,.1759,-.0859;-1.3736,-.7235,.0156;-.4997,.3603,-.1672;3.1425,.96,-.307;1.4173,-1.143,-.0116;-6.0222,-2.1579,-1.0995;-.8448,-2.0193,.1675;3.7147,-.2792,-.3771;.5224,-2.2161,.1127;2.8762,-1.4375,-.0982;5.2212,-.3213,-.7102;-1.0233,1.8856,-1.8762;1.0554,3.1818,-.6268;2.4591,4.4144,1.0163;3.0992,2.8447,1.6943;.7824,2.0915,2.2647;.08,3.6508,1.6197;-4.9016,-.4308,-1.69;-4.9939,1.4756,1.6918;-6.5213,.4008,-.0142;-5.8999,-.7118,1.1931;-3.792,-2.2877,.463;-3.2247,-2.1072,-1.2078;-2.5291,.9884,1.51;-3.4326,-.438,2.0455;3.7911,1.8233,-.3858;-5.6356,-2.789,-1.9058;-6.1912,-2.7936,-.2231;-6.9908,-1.7607,-1.4184;-1.51,-2.8635,.3063;.9495,-3.2099,.1855;-3.5916,1.5008,-.8745;-3.8149,2.7675,.1679;-1.6254,1.1566,-2.4306;-.0014,1.8722,-2.2685;-1.4439,2.8856,-1.9954;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3992149 0.1052176 0.0892395</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="O" id="a1" x3="-1.044904" y3="1.599339" z3="-0.464127">
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                           <atom elementType="O" id="a2" x3="3.279136" y3="-2.602364" z3="0.071646">
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                           <atom elementType="N" id="a5" x3="1.815054" y3="1.237546" z3="-0.118636">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.90451" y3="0.176215" z3="-0.087067">
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                           <atom elementType="H" id="a34" x3="-4.903304" y3="-0.43075" z3="-1.690518">
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                           <atom elementType="H" id="a41" x3="-3.431242" y3="-0.441182" z3="2.043782">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="3.792548" y3="1.821803" z3="-0.383817">
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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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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-1.510068" y3="-2.864024" z3="0.299089">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a47" x3="0.94945" y3="-3.209825" z3="0.180323">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-3.599117" y3="1.501958" z3="-0.875941">
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                           <atom elementType="H" id="a49" x3="-3.807911" y3="2.764814" z3="0.17363">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a50" x3="-1.630723" y3="1.15306" z3="-2.428111">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a51" x3="-0.007639" y3="1.871719" z3="-2.272754">
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                              </property>
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                           <atom elementType="H" id="a52" x3="-1.451071" y3="2.883017" z3="-1.996789">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0449,1.5993,-.4641;3.2791,-2.6024,.0716;5.6903,-1.4008,-1.1429;5.8466,.7655,-.528;1.8151,1.2375,-.1186;-2.7735,-.4627,.004;-4.2661,1.9416,-.2257;-5.0897,2.2613,-.7417;1.4438,2.6104,.2072;2.2766,3.3655,1.2134;.8789,2.9204,1.5641;-5.047,-1.022,-.7756;-4.5933,.9152,.8475;-5.6101,-.1043,.3277;-3.669,-1.5697,-.3686;-3.2649,.2444,1.1992;.9045,.1762,-.0871;-1.3732,-.7233,.013;-.4993,.3609,-.1681;3.1437,.9588,-.3051;1.4176,-1.1429,-.0136;-6.0229,-2.1581,-1.0989;-.8449,-2.0195,.1624;3.7164,-.2805,-.3732;.5224,-2.216,.1083;2.8766,-1.4385,-.0978;5.2242,-.3217,-.6998;-1.0281,1.8841,-1.8768;1.0578,3.1813,-.6305;2.4615,4.4156,1.0117;3.1005,2.8467,1.6918;.7824,2.0954,2.2624;.0817,3.6543,1.615;-4.9033,-.4308,-1.6905;-4.994,1.4723,1.6952;-6.5209,.4007,-.0138;-5.9002,-.7124,1.193;-3.7907,-2.2878,.461;-3.2253,-2.1065,-1.2105;-2.5276,.9859,1.5109;-3.4312,-.4412,2.0438;3.7925,1.8218,-.3838;-5.6374,-2.7888,-1.9061;-6.1906,-2.7941,-.2226;-6.992,-1.761,-1.4164;-1.5101,-2.864,.2991;.9495,-3.2098,.1803;-3.5991,1.502,-.8759;-3.8079,2.7648,.1736;-1.6307,1.1531,-2.4281;-.0076,1.8717,-2.2728;-1.4511,2.883,-1.9968;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3993087 0.1051874 0.0891911</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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                           <atom elementType="O" id="a2" x3="3.278212" y3="-2.601846" z3="0.074631">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.847798" y3="0.763275" z3="-0.524071">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.814239" y3="1.237576" z3="-0.120058">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a6" x3="-2.773875" y3="-0.462423" z3="0.005012">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a7" x3="-4.26582" y3="1.941112" z3="-0.219845">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.088149" y3="2.256745" z3="-0.740179">
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                           <atom elementType="C" id="a9" x3="1.443011" y3="2.610706" z3="0.204995">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.27642" y3="3.367491" z3="1.20958">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="0.903847" y3="0.176265" z3="-0.087768">
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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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                                 <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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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <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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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3992964 0.1051891 0.0892056</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="O" id="a1" x3="-1.039808" y3="1.604538" z3="-0.46807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271876" y3="-2.61228" z3="0.035458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.714833" y3="-1.402345" z3="-1.082327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.849733" y3="0.771619" z3="-0.492271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.818066" y3="1.235673" z3="-0.117281">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.77319" y3="-0.45781" z3="-0.010507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.278433" y3="1.941428" z3="-0.239508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.110914" y3="2.26459" z3="-0.738719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.447693" y3="2.608849" z3="0.209782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.278496" y3="3.362831" z3="1.218731">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.879523" y3="2.918249" z3="1.565341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.589901" y3="0.920206" z3="0.842719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a14" x3="-5.6084" y3="-0.105455" z3="0.338729">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.67007" y3="-1.568658" z3="-0.370042">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.256989" y3="0.255053" z3="1.186198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905882" y3="0.175718" z3="-0.097001">
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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>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3999822 0.1050912 0.0890109</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="O" id="a1" x3="-1.040509" y3="1.601597" z3="-0.468286">
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                           <atom elementType="O" id="a2" x3="3.274353" y3="-2.61113" z3="0.033927">
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                           <atom elementType="N" id="a5" x3="1.816312" y3="1.235288" z3="-0.116022">
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                           <atom elementType="C" id="a15" x3="-3.670681" y3="-1.569024" z3="-0.368781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.257178" y3="0.254005" z3="1.187635">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905399" y3="0.174275" z3="-0.095128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37327" y3="-0.722896" z3="-0.001979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.497545" y3="0.360711" z3="-0.177355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.146116" y3="0.957157" z3="-0.293359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.41742" y3="-1.145546" z3="-0.030491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.030057" y3="-2.164445" z3="-1.074312">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.846658" y3="-2.020397" z3="0.139212">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a24" x3="3.720163" y3="-0.281395" z3="-0.36516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.520642" y3="-2.218124" z3="0.083109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.876422" y3="-1.442866" z3="-0.114753">
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                           <atom elementType="C" id="a27" x3="5.232766" y3="-0.316401" z3="-0.669145">
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                           <atom elementType="C" id="a28" x3="-1.02675" y3="1.88869" z3="-1.880571">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a29" x3="1.058221" y3="3.178635" z3="-0.626153">
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                           <atom elementType="H" id="a30" x3="2.458765" y3="4.413953" z3="1.017929">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.10009" y3="2.846161" z3="1.697906">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="0.783402" y3="2.091094" z3="2.267136">
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                           <atom elementType="H" id="a33" x3="0.080548" y3="3.649148" z3="1.619025">
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                           <atom elementType="H" id="a34" x3="-4.918685" y3="-0.438769" z3="-1.685529">
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                           <atom elementType="H" id="a35" x3="-4.983224" y3="1.482197" z3="1.690008">
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                           <atom elementType="H" id="a36" x3="-6.522605" y3="0.398168" z3="0.000649">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-5.889233" y3="-0.707126" z3="1.208519">
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                           <atom elementType="H" id="a38" x3="-3.78372" y3="-2.283957" z3="0.464568">
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                           <atom elementType="H" id="a40" x3="-2.51826" y3="0.997822" z3="1.489387">
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                           <atom elementType="H" id="a42" x3="3.796275" y3="1.820121" z3="-0.360767">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-5.65113" y3="-2.798264" z3="-1.882151">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-6.188008" y3="-2.796496" z3="-0.193287">
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                           <atom elementType="H" id="a46" x3="-1.51247" y3="-2.865084" z3="0.271208">
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                           <atom elementType="H" id="a47" x3="0.946265" y3="-3.213153" z3="0.148847">
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                           <atom elementType="H" id="a48" x3="-3.617194" y3="1.496222" z3="-0.898289">
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                           <atom elementType="H" id="a49" x3="-3.808572" y3="2.765694" z3="0.147841">
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                           <atom elementType="H" id="a50" x3="-1.626237" y3="1.155461" z3="-2.43211">
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                           <atom elementType="H" id="a51" x3="-0.006639" y3="1.88186" z3="-2.277524">
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                           <atom elementType="H" id="a52" x3="-1.45424" y3="2.885866" z3="-1.999246">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0405,1.6016,-.4683;3.2744,-2.6111,.0339;5.7119,-1.3976,-1.0926;5.8475,.7753,-.499;1.8163,1.2353,-.116;-2.773,-.4597,-.0076;-4.2736,1.941,-.2405;-5.1037,2.2597,-.7462;1.444,2.6076,.2118;2.2756,3.3633,1.2188;.8786,2.9162,1.5687;-5.0529,-1.0253,-.7661;-4.5887,.921,.842;-5.6081,-.1033,.3373;-3.6707,-1.569,-.3688;-3.2572,.254,1.1876;.9054,.1743,-.0951;-1.3733,-.7229,-.002;-.4975,.3607,-.1774;3.1461,.9572,-.2934;1.4174,-1.1455,-.0305;-6.0301,-2.1644,-1.0743;-.8467,-2.0204,.1392;3.7202,-.2814,-.3652;.5206,-2.2181,.0831;2.8764,-1.4429,-.1148;5.2328,-.3164,-.6691;-1.0268,1.8887,-1.8806;1.0582,3.1786,-.6262;2.4588,4.414,1.0179;3.1001,2.8462,1.6979;.7834,2.0911,2.2671;.0805,3.6491,1.619;-4.9187,-.4388,-1.6855;-4.9832,1.4822,1.69;-6.5226,.3982,.0006;-5.8892,-.7071,1.2085;-3.7837,-2.284,.4646;-3.2334,-2.1083,-1.2126;-2.5183,.9978,1.4894;-3.4165,-.4275,2.0367;3.7963,1.8201,-.3608;-5.6511,-2.7983,-1.8822;-6.188,-2.7965,-.1933;-7.0029,-1.7705,-1.3842;-1.5125,-2.8651,.2712;.9463,-3.2132,.1488;-3.6172,1.4962,-.8983;-3.8086,2.7657,.1478;-1.6262,1.1555,-2.4321;-.0066,1.8819,-2.2775;-1.4542,2.8859,-1.9992;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3999991 0.1051277 0.0890614</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="O" id="a1" x3="-1.034781" y3="1.597086" z3="-0.474947">
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                           <atom elementType="O" id="a2" x3="3.274142" y3="-2.623576" z3="-0.049673">
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                           <atom elementType="O" id="a3" x3="5.747274" y3="-1.376474" z3="-1.018149">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.840878" y3="0.806643" z3="-0.460966">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.814209" y3="1.229752" z3="-0.107209">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a6" x3="-2.77093" y3="-0.460433" z3="-0.021871">
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                           <atom elementType="N" id="a7" x3="-4.271951" y3="1.939857" z3="-0.27281">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-5.107341" y3="2.249105" z3="-0.774333">
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.434239" y3="2.598776" z3="0.226384">
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.264173" y3="3.359269" z3="1.231071">
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                           <atom elementType="C" id="a11" x3="0.872553" y3="2.901721" z3="1.585508">
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                           <atom elementType="C" id="a14" x3="-5.602662" y3="-0.092558" z3="0.349824">
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                           <atom elementType="C" id="a15" x3="-3.675875" y3="-1.569997" z3="-0.363204">
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                           <atom elementType="C" id="a17" x3="0.906357" y3="0.166416" z3="-0.10537">
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                           <atom elementType="C" id="a18" x3="-1.372756" y3="-0.729229" z3="-0.022023">
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                           <atom elementType="C" id="a19" x3="-0.495074" y3="0.353442" z3="-0.189509">
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                           <atom elementType="C" id="a20" x3="3.145582" y3="0.957825" z3="-0.272436">
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                           <atom elementType="C" id="a21" x3="1.419562" y3="-1.153667" z3="-0.059065">
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                           <atom elementType="C" id="a22" x3="-6.045668" y3="-2.167832" z3="-1.031798">
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                           <atom elementType="C" id="a23" x3="-0.845997" y3="-2.027965" z3="0.107022">
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                           <atom elementType="C" id="a24" x3="3.723746" y3="-0.277682" z3="-0.357753">
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                              <property dictRef="g:atomicType">
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                           </atom>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-4.938378" y3="-0.452375" z3="-1.676945">
                              <property dictRef="g:atomicType">
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                           </atom>
                           <atom elementType="H" id="a35" x3="-4.957359" y3="1.509507" z3="1.673116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-6.520117" y3="0.406458" z3="0.018968">
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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.678054" y3="-2.811514" z3="-1.836989">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.193992" y3="-2.789216" z3="-0.141556">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.021346" y3="-1.774808" z3="-1.333793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.511061" y3="-2.873767" z3="0.234147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.946199" y3="-3.222918" z3="0.095498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.624807" y3="1.486218" z3="-0.933691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.805261" y3="2.771877" z3="0.09708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.615181" y3="1.148796" z3="-2.439417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.001332" y3="1.887534" z3="-2.282222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.456068" y3="2.880534" z3="-2.00594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0348,1.5971,-.4749;3.2741,-2.6236,-.0497;5.7473,-1.3765,-1.0181;5.8409,.8066,-.461;1.8142,1.2298,-.1072;-2.7709,-.4604,-.0219;-4.272,1.9399,-.2728;-5.1073,2.2491,-.7743;1.4342,2.5988,.2264;2.2642,3.3593,1.2311;.8726,2.9017,1.5855;-5.0619,-1.0278,-.749;-4.575,.936,.8278;-5.6027,-.0926,.3498;-3.6759,-1.57,-.3632;-3.2422,.2701,1.1683;.9064,.1664,-.1054;-1.3728,-.7292,-.022;-.4951,.3534,-.1895;3.1456,.9578,-.2724;1.4196,-1.1537,-.0591;-6.0457,-2.1678,-1.0318;-.846,-2.028,.107;3.7237,-.2777,-.3578;.5215,-2.2263,.0436;2.8795,-1.4493,-.1542;5.2429,-.295,-.6285;-1.0224,1.8862,-1.8871;1.0418,3.1682,-.6098;2.4382,4.4112,1.03;3.0941,2.8485,1.7077;.7875,2.0759,2.2847;.0692,3.6286,1.639;-4.9384,-.4524,-1.6769;-4.9574,1.5095,1.6731;-6.5201,.4065,.019;-5.8728,-.686,1.2318;-3.78,-2.2777,.4774;-3.2509,-2.1181,-1.2078;-2.4997,1.0175,1.4514;-3.3938,-.3999,2.0277;3.7961,1.822,-.317;-5.6781,-2.8115,-1.837;-6.194,-2.7892,-.1416;-7.0213,-1.7748,-1.3338;-1.5111,-2.8738,.2341;.9462,-3.2229,.0955;-3.6248,1.4862,-.9337;-3.8053,2.7719,.0971;-1.6152,1.1488,-2.4394;-.0013,1.8875,-2.2822;-1.4561,2.8805,-2.0059;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4014035 0.1051239 0.0889570</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="O" id="a1" x3="-1.04344" y3="1.595759" z3="-0.476418">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.275324" y3="-2.614309" z3="0.01342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.724186" y3="-1.389509" z3="-1.061759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.842967" y3="0.787058" z3="-0.477966">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81356" y3="1.234424" z3="-0.118376">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773551" y3="-0.463084" z3="-0.005429">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.256336" y3="1.938533" z3="-0.224288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.079968" y3="2.252835" z3="-0.74321">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.43729" y3="2.606915" z3="0.203856">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267725" y3="3.37055" z3="1.205215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.872456" y3="2.921233" z3="1.559587">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054839" y3="-1.017477" z3="-0.766457">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.581895" y3="0.917106" z3="0.853712">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606189" y3="-0.099309" z3="0.342361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673928" y3="-1.568087" z3="-0.37375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254568" y3="0.240615" z3="1.196738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904341" y3="0.171918" z3="-0.098943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373298" y3="-0.727894" z3="-0.003214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.499197" y3="0.356191" z3="-0.182009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.144158" y3="0.958123" z3="-0.287938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417922" y3="-1.147747" z3="-0.034355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.036871" y3="-2.150779" z3="-1.081137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845192" y3="-2.024417" z3="0.141253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.72017" y3="-0.279438" z3="-0.359682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.522215" y3="-2.221004" z3="0.082295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.877467" y3="-1.444474" z3="-0.123592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.235419" y3="-0.308412" z3="-0.65004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.029423" y3="1.877031" z3="-1.890417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.048184" y3="3.172412" z3="-0.636092">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.447486" y3="4.420206" z3="0.996502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.09464" y3="2.859337" z3="1.686608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.781492" y3="2.099513" z3="2.262637">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.071953" y3="3.651744" z3="1.607128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.918711" y3="-0.42577" z3="-1.68216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.974215" y3="1.476995" z3="1.703579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.518106" y3="0.408562" z3="0.00859">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.890418" y3="-0.707205" z3="1.209815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.788607" y3="-2.288885" z3="0.454394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.238339" y3="-2.102455" z3="-1.221564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.5127" y3="0.979068" z3="1.504747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.417481" y3="-0.447466" z3="2.039693">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.794103" y3="1.821668" z3="-0.349348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.661314" y3="-2.781289" z3="-1.89317">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.196874" y3="-2.787517" z3="-0.203872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.008248" y3="-1.750785" z3="-1.387747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510146" y3="-2.869313" z3="0.276559">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.949231" y3="-3.215456" z3="0.147155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.588435" y3="1.495136" z3="-0.872046">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.80117" y3="2.765804" z3="0.169726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.623423" y3="1.13784" z3="-2.439448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.008123" y3="1.875224" z3="-2.28464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.462283" y3="2.871278" z3="-2.013501">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005825 0.1051703 0.0890950</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="O" id="a1" x3="-1.043118" y3="1.599334" z3="-0.468496">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.275861" y3="-2.608066" z3="0.046459">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.702171" y3="-1.400209" z3="-1.110741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.845263" y3="0.772159" z3="-0.515286">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815257" y3="1.236335" z3="-0.116925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.77379" y3="-0.461393" z3="-0.000295">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.266682" y3="1.939359" z3="-0.227681">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.091249" y3="2.254026" z3="-0.745159">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.442314" y3="2.609098" z3="0.207644">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.274392" y3="3.367607" z3="1.211806">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a11" x3="0.87789" y3="2.920932" z3="1.564162">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.050467" y3="-1.021268" z3="-0.771401">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.59059" y3="0.915785" z3="0.848937">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.609441" y3="-0.104218" z3="0.334374">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.67038" y3="-1.568313" z3="-0.370544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.26135" y3="0.244976" z3="1.196679">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.904566" y3="0.174872" z3="-0.091055">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.373719" y3="-0.723642" z3="0.006335">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.499004" y3="0.359987" z3="-0.173377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.144394" y3="0.958235" z3="-0.297759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="1.41711" y3="-1.14473" z3="-0.021477">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.027454" y3="-2.157535" z3="-1.090724">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.845941" y3="-2.020125" z3="0.154066">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.717435" y3="-0.280702" z3="-0.368538">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.521251" y3="-2.217431" z3="0.098231">
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                           <atom elementType="C" id="a26" x3="2.876099" y3="-1.441236" z3="-0.108377">
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                           <atom elementType="C" id="a27" x3="5.227859" y3="-0.318467" z3="-0.683173">
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                           <atom elementType="C" id="a28" x3="-1.024769" y3="1.884252" z3="-1.881389">
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                           <atom elementType="H" id="a29" x3="1.054796" y3="3.177838" z3="-0.630835">
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                           <atom elementType="H" id="a30" x3="2.457165" y3="4.417513" z3="1.007057">
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                           <atom elementType="H" id="a31" x3="3.099453" y3="2.851825" z3="1.691515">
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                           <atom elementType="H" id="a32" x3="0.783877" y3="2.097241" z3="2.26451">
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                           <atom elementType="H" id="a34" x3="-4.910944" y3="-0.429694" z3="-1.686717">
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                           <atom elementType="H" id="a35" x3="-4.987728" y3="1.474539" z3="1.697318">
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                           <atom elementType="H" id="a37" x3="-5.894902" y3="-0.712629" z3="1.201101">
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                           <atom elementType="H" id="a42" x3="3.794348" y3="1.82104" z3="-0.369735">
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                           <atom elementType="H" id="a43" x3="-5.645226" y3="-2.787803" z3="-1.899841">
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                           <atom elementType="H" id="a44" x3="-6.190936" y3="-2.793911" z3="-0.213838">
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                           <atom elementType="H" id="a47" x3="0.947744" y3="-3.21184" z3="0.167091">
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                           <atom elementType="H" id="a48" x3="-3.599181" y3="1.499145" z3="-0.877085">
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                           <atom elementType="H" id="a49" x3="-3.811695" y3="2.76596" z3="0.168013">
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                           <atom elementType="H" id="a50" x3="-1.624341" y3="1.151666" z3="-2.433602">
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                           <atom elementType="H" id="a51" x3="-0.003314" y3="1.874874" z3="-2.274957">
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                           <atom elementType="H" id="a52" x3="-1.449615" y3="2.882307" z3="-2.001982">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5993,-.4685;3.2759,-2.6081,.0465;5.7022,-1.4002,-1.1107;5.8453,.7722,-.5153;1.8153,1.2363,-.1169;-2.7738,-.4614,-.0003;-4.2667,1.9394,-.2277;-5.0912,2.254,-.7452;1.4423,2.6091,.2076;2.2744,3.3676,1.2118;.8779,2.9209,1.5642;-5.0505,-1.0213,-.7714;-4.5906,.9158,.8489;-5.6094,-.1042,.3344;-3.6704,-1.5683,-.3705;-3.2614,.245,1.1967;.9046,.1749,-.0911;-1.3737,-.7236,.0063;-.499,.36,-.1734;3.1444,.9582,-.2978;1.4171,-1.1447,-.0215;-6.0275,-2.1575,-1.0907;-.8459,-2.0201,.1541;3.7174,-.2807,-.3685;.5213,-2.2174,.0982;2.8761,-1.4412,-.1084;5.2279,-.3185,-.6832;-1.0248,1.8843,-1.8814;1.0548,3.1778,-.6308;2.4572,4.4175,1.0071;3.0995,2.8518,1.6915;.7839,2.0972,2.2645;.0793,3.6534,1.6139;-4.9109,-.4297,-1.6867;-4.9877,1.4745,1.6973;-6.5219,.4004,-.0029;-5.8949,-.7126,1.2011;-3.7882,-2.2875,.4586;-3.2299,-2.1041,-1.2149;-2.5233,.9869,1.5056;-3.4248,-.4408,2.0417;3.7943,1.821,-.3697;-5.6452,-2.7878,-1.8998;-6.1909,-2.7939,-.2138;-6.9981,-1.7606,-1.4036;-1.5115,-2.8645,.2903;.9477,-3.2118,.1671;-3.5992,1.4991,-.8771;-3.8117,2.766,.168;-1.6243,1.1517,-2.4336;-.0033,1.8749,-2.275;-1.4496,2.8823,-2.002;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.3996467 0.1051746 0.0891394</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="O" id="a1" x3="-1.038642" y3="1.601874" z3="-0.429943">
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                           <atom elementType="O" id="a2" x3="3.284206" y3="-2.632526" z3="-0.120075">
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                           <atom elementType="N" id="a5" x3="1.826282" y3="1.229203" z3="-0.095696">
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                           <atom elementType="N" id="a7" x3="-4.260345" y3="1.937443" z3="-0.35269">
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                           <atom elementType="H" id="a8" x3="-5.100019" y3="2.289208" z3="-0.823915">
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                           <atom elementType="C" id="a10" x3="2.25283" y3="3.324544" z3="1.287022">
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                           <atom elementType="C" id="a16" x3="-3.235448" y3="0.306684" z3="1.130421">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.914947" y3="0.165616" z3="-0.105046">
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                           <atom elementType="C" id="a18" x3="-1.369466" y3="-0.734015" z3="-0.030766">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.835383" y3="-2.03586" z3="0.070194">
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                           </atom>
                           <atom elementType="H" id="a31" x3="3.062909" y3="2.789365" z3="1.771183">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.724052" y3="2.035579" z3="2.267312">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="0.04647" y3="3.611945" z3="1.64155">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a34" x3="-4.935961" y3="-0.519229" z3="-1.683051">
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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="a36" x3="-6.514751" y3="0.42476" z3="-0.026603">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="-5.885513" y3="-0.626564" z3="1.227882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a38" x3="-3.794604" y3="-2.255793" z3="0.554672">
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                           <atom elementType="H" id="a40" x3="-2.493201" y3="1.062039" z3="1.390051">
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                           <atom elementType="H" id="a41" x3="-3.389603" y3="-0.329706" z3="2.016186">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.809773" y3="1.815644" z3="-0.291757">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.676591" y3="-2.892753" z3="-1.734843">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.21089" y3="-2.777974" z3="-0.049244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.018316" y3="-1.823497" z3="-1.302409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a46" x3="-1.49519" y3="-2.88753" z3="0.186387">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="0.955239" y3="-3.226737" z3="0.027307">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a48" x3="-3.664957" y3="1.458246" z3="-1.034275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.729887" y3="2.741392" z3="-0.006621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.678669" y3="1.23066" z3="-2.394243">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.031254" y3="1.894396" z3="-2.25097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a52" x3="-1.437638" y3="2.940533" z3="-1.911214">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4020860 0.1051226 0.0887623</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="O" id="a1" x3="-1.041422" y3="1.599774" z3="-0.46115">
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                           <atom elementType="O" id="a2" x3="3.277188" y3="-2.618435" z3="-0.012056">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="5.736668" y3="-1.385757" z3="-1.058898">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.83821" y3="0.796605" z3="-0.494288">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.818085" y3="1.233662" z3="-0.111907">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a6" x3="-2.771982" y3="-0.463877" z3="-0.010989">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a7" x3="-4.263082" y3="1.939489" z3="-0.261894">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.093482" y3="2.265177" z3="-0.763955">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.441929" y3="2.604324" z3="0.216612">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.266914" y3="3.356557" z3="1.230805">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.867031" y3="2.908991" z3="1.570563">
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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="C" id="a15" x3="-3.674503" y3="-1.573612" z3="-0.357456">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.251015" y3="0.261945" z3="1.177465">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.907509" y3="0.171423" z3="-0.098824">
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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="C" id="a21" x3="1.420785" y3="-1.14937" z3="-0.045762">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.037198" y3="-2.170077" z3="-1.051408">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.84314" y3="-2.025881" z3="0.123224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.722898" y3="-0.28044" z3="-0.365967">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.523775" y3="-2.222449" z3="0.062555">
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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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                              <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">
                                 <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>
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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">
                                 <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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                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.949772" y3="-3.217597" z3="0.118265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </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>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4007114 0.1051465 0.0889931</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="O" id="a1" x3="-1.042434" y3="1.598095" z3="-0.469499">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.275951" y3="-2.614863" z3="0.009775">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.725219" y3="-1.390014" z3="-1.068813">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.841974" y3="0.787867" z3="-0.489551">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815571" y3="1.234453" z3="-0.115768">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.772971" y3="-0.462881" z3="-0.007045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.261374" y3="1.939227" z3="-0.239258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088161" y3="2.257927" z3="-0.750877">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.44004" y3="2.606316" z3="0.209446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.26886" y3="3.364707" z3="1.216117">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871681" y3="2.916441" z3="1.564761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054752" y3="-1.022973" z3="-0.763964">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583217" y3="0.92194" z3="0.843952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606701" y3="-0.098154" z3="0.338961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673469" y3="-1.570185" z3="-0.367252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254244" y3="0.249788" z3="1.189198">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905574" y3="0.172274" z3="-0.097756">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.372994" y3="-0.726874" z3="-0.004241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="C" id="a19" x3="-0.498133" y3="0.357485" z3="-0.179568">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.14561" y3="0.957653" z3="-0.288222">
                              <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="a22" x3="-6.035405" y3="-2.159582" z3="-1.071082">
                              <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="a24" x3="3.720855" y3="-0.280072" z3="-0.363359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.522527" y3="-2.220892" z3="0.077068">
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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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                              <property dictRef="g:atomicType">
                                 <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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                           </atom>
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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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                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="0.949007" y3="-3.215648" z3="0.139211">
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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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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a50" x3="-1.629467" y3="1.151832" z3="-2.433251">
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                           <atom elementType="H" id="a51" x3="-0.009395" y3="1.878282" z3="-2.278924">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4004790 0.1051585 0.0890601</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="O" id="a1" x3="-1.042516" y3="1.594117" z3="-0.483394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.269974" y3="-2.619023" z3="-0.003089">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a3" x3="5.728395" y3="-1.392152" z3="-1.046006">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a4" x3="5.841308" y3="0.78734" z3="-0.471549">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a5" x3="1.813416" y3="1.231758" z3="-0.118765">
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                           <atom elementType="N" id="a6" x3="-2.773298" y3="-0.460935" z3="-0.012938">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.674226" y3="-1.566833" z3="-0.37326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.247297" y3="0.248858" z3="1.185925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.903846" y3="0.168712" z3="-0.105238">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.374901" y3="-0.727981" z3="-0.013275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49901" y3="0.354048" z3="-0.191311">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.144542" y3="0.95694" z3="-0.282137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.415957" y3="-1.151425" z3="-0.041368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.038493" y3="-2.15627" z3="-1.069029">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.847833" y3="-2.024897" z3="0.132839">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.719004" y3="-0.280851" z3="-0.357234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="0.519223" y3="-2.223756" z3="0.073878">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.874954" y3="-1.447746" z3="-0.132836">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="5.235512" y3="-0.309599" z3="-0.642576">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a28" x3="-1.003617" y3="1.885983" z3="-1.895219">
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                           <atom elementType="H" id="a29" x3="1.04748" y3="3.168526" z3="-0.638962">
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                           <atom elementType="H" id="a30" x3="2.43832" y3="4.417228" z3="0.998872">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.083709" y3="2.856874" z3="1.693251">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="0.771008" y3="2.095377" z3="2.258666">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="0.061244" y3="3.646057" z3="1.59964">
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                           <atom elementType="H" id="a34" x3="-4.927443" y3="-0.428916" z3="-1.677959">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-4.96993" y3="1.473489" z3="1.708229">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.521771" y3="0.401231" z3="0.024713">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-5.880037" y3="-0.713224" z3="1.219823">
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                           <atom elementType="H" id="a38" x3="-3.78501" y3="-2.285707" z3="0.457328">
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                           <atom elementType="H" id="a40" x3="-2.506899" y3="0.994438" z3="1.481165">
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                           <atom elementType="H" id="a41" x3="-3.398303" y3="-0.433227" z3="2.036202">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="3.796323" y3="1.820143" z3="-0.333718">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a43" x3="-5.664236" y3="-2.787565" z3="-1.881041">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-6.193202" y3="-2.791377" z3="-0.189637">
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                           <atom elementType="H" id="a45" x3="-7.012138" y3="-1.759463" z3="-1.372459">
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                           <atom elementType="H" id="a46" x3="-1.51387" y3="-2.868525" z3="0.270681">
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                           <atom elementType="H" id="a47" x3="0.944707" y3="-3.219185" z3="0.138575">
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                           <atom elementType="H" id="a48" x3="-3.580541" y3="1.520112" z3="-0.859711">
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                           <atom elementType="H" id="a49" x3="-3.848004" y3="2.786467" z3="0.176021">
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                           <atom elementType="H" id="a50" x3="-1.587708" y3="1.151552" z3="-2.460815">
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                           <atom elementType="H" id="a51" x3="0.024864" y3="1.887447" z3="-2.270673">
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                           <atom elementType="H" id="a52" x3="-1.433901" y3="2.881299" z3="-2.017703">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0425,1.5941,-.4834;3.27,-2.619,-.0031;5.7284,-1.3922,-1.046;5.8413,.7873,-.4715;1.8134,1.2318,-.1188;-2.7733,-.4609,-.0129;-4.2694,1.9438,-.2226;-5.0937,2.231,-.7561;1.4341,2.6033,.2024;2.259,3.3677,1.2077;.8632,2.917,1.5554;-5.058,-1.02,-.761;-4.5818,.917,.8542;-5.6054,-.1034,.3504;-3.6742,-1.5668,-.3733;-3.2473,.2489,1.1859;.9038,.1687,-.1052;-1.3749,-.728,-.0133;-.499,.354,-.1913;3.1445,.9569,-.2821;1.416,-1.1514,-.0414;-6.0385,-2.1563,-1.069;-.8478,-2.0249,.1328;3.719,-.2809,-.3572;.5192,-2.2238,.0739;2.875,-1.4477,-.1328;5.2355,-.3096,-.6426;-1.0036,1.886,-1.8952;1.0475,3.1685,-.639;2.4383,4.4172,.9989;3.0837,2.8569,1.6933;.771,2.0954,2.2587;.0612,3.6461,1.5996;-4.9274,-.4289,-1.678;-4.9699,1.4735,1.7082;-6.5218,.4012,.0247;-5.88,-.7132,1.2198;-3.785,-2.2857,.4573;-3.2426,-2.1045,-1.2212;-2.5069,.9944,1.4812;-3.3983,-.4332,2.0362;3.7963,1.8201,-.3337;-5.6642,-2.7876,-1.881;-6.1932,-2.7914,-.1896;-7.0121,-1.7595,-1.3725;-1.5139,-2.8685,.2707;.9447,-3.2192,.1386;-3.5805,1.5201,-.8597;-3.848,2.7865,.176;-1.5877,1.1516,-2.4608;.0249,1.8874,-2.2707;-1.4339,2.8813,-2.0177;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4006284 0.1052108 0.0890808</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="O" id="a1" x3="-1.040402" y3="1.621045" z3="-0.489891">
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                           <atom elementType="O" id="a2" x3="3.234392" y3="-2.636369" z3="-0.050425">
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                           <atom elementType="O" id="a3" x3="5.77865" y3="-1.4540" z3="-0.854787">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.869516" y3="0.74404" z3="-0.346776">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.831345" y3="1.23461" z3="-0.147365">
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                           <atom elementType="N" id="a6" x3="-2.776568" y3="-0.452427" z3="-0.014727">
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                           <atom elementType="N" id="a7" x3="-4.280208" y3="1.931884" z3="-0.189802">
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                           </atom>
                           <atom elementType="H" id="a8" x3="-5.115199" y3="2.265488" z3="-0.681512">
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.465819" y3="2.615865" z3="0.151339">
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.270402" y3="3.374434" z3="1.178099">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.85459" y3="2.949938" z3="1.481899">
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                           <atom elementType="C" id="a12" x3="-5.065184" y3="-1.028873" z3="-0.749736">
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                           <atom elementType="C" id="a14" x3="-5.610498" y3="-0.121707" z3="0.37198">
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                           <atom elementType="C" id="a15" x3="-3.669644" y3="-1.561937" z3="-0.384412">
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                           <atom elementType="C" id="a16" x3="-3.251185" y3="0.229196" z3="1.201034">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="0.907576" y3="0.181972" z3="-0.145311">
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                           <atom elementType="C" id="a18" x3="-1.376309" y3="-0.708122" z3="-0.040814">
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                           <atom elementType="C" id="a19" x3="-0.497436" y3="0.374699" z3="-0.222768">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.165581" y3="0.941749" z3="-0.270264">
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                           <atom elementType="C" id="a21" x3="1.410123" y3="-1.141666" z3="-0.085125">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.033408" y3="-2.177801" z3="-1.050412">
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                           <atom elementType="C" id="a23" x3="-0.854888" y3="-2.008839" z3="0.084334">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.734725" y3="-0.301732" z3="-0.325827">
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                           <atom elementType="C" id="a25" x3="0.509858" y3="-2.211195" z3="0.01877">
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                           </atom>
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                           <atom elementType="H" id="a34" x3="-4.953671" y3="-0.432977" z3="-1.665611">
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                           <atom elementType="H" id="a35" x3="-4.972915" y3="1.448214" z3="1.739801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.532571" y3="0.380134" z3="0.054937">
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                           </atom>
                           <atom elementType="H" id="a41" x3="-3.402707" y3="-0.471295" z3="2.036456">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.826785" y3="1.798537" z3="-0.30075">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.660791" y3="-2.801194" z3="-1.869276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.16813" y3="-2.818607" z3="-0.171805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.016306" y3="-1.79407" z3="-1.34067">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.52349" y3="-2.850984" z3="0.220278">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.93204" y3="-3.20775" z3="0.080455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.634665" y3="1.495107" z3="-0.862235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.80352" y3="2.745882" z3="0.207484">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.648487" y3="1.234346" z3="-2.461992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.015377" y3="1.928151" z3="-2.300509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.443362" y3="2.9489" z3="-1.98213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0404,1.621,-.4899;3.2344,-2.6364,-.0504;5.7786,-1.454,-.8548;5.8695,.744,-.3468;1.8313,1.2346,-.1474;-2.7766,-.4524,-.0147;-4.2802,1.9319,-.1898;-5.1152,2.2655,-.6815;1.4658,2.6159,.1513;2.2704,3.3744,1.1781;.8546,2.9499,1.4819;-5.0652,-1.0289,-.7497;-4.5876,.8974,.8806;-5.6105,-.1217,.372;-3.6696,-1.5619,-.3844;-3.2512,.2292,1.201;.9076,.182,-.1453;-1.3763,-.7081,-.0408;-.4974,.3747,-.2228;3.1656,.9417,-.2703;1.4101,-1.1417,-.0851;-6.0334,-2.1778,-1.0504;-.8549,-2.0088,.0843;3.7347,-.3017,-.3258;.5099,-2.2112,.0188;2.8647,-1.4553,-.1511;5.2668,-.3547,-.5172;-1.0316,1.9415,-1.8944;1.1179,3.1811,-.707;2.4757,4.4198,.97;3.069,2.8535,1.6954;.7225,2.1352,2.186;.0651,3.6937,1.495;-4.9537,-.433,-1.6656;-4.9729,1.4482,1.7398;-6.5326,.3801,.0549;-5.8779,-.7382,1.2381;-3.7615,-2.295,.436;-3.2391,-2.0793,-1.245;-2.5135,.9685,1.5146;-3.4027,-.4713,2.0365;3.8268,1.7985,-.3008;-5.6608,-2.8012,-1.8693;-6.1681,-2.8186,-.1718;-7.0163,-1.7941,-1.3407;-1.5235,-2.851,.2203;.932,-3.2077,.0805;-3.6347,1.4951,-.8622;-3.8035,2.7459,.2075;-1.6485,1.2343,-2.462;-.0154,1.9282,-2.3005;-1.4434,2.9489,-1.9821;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4008649 0.1049319 0.0885742</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="O" id="a1" x3="-1.042417" y3="1.603403" z3="-0.477866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.264367" y3="-2.619706" z3="0.001777">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.737402" y3="-1.408452" z3="-1.016096">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.851058" y3="0.77362" z3="-0.450617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.818925" y3="1.234728" z3="-0.125617">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.774391" y3="-0.4599" z3="-0.007245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.265292" y3="1.937079" z3="-0.217708">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.092621" y3="2.257216" z3="-0.72821">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.446014" y3="2.60955" z3="0.191049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.269601" y3="3.370255" z3="1.200514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.868158" y3="2.928116" z3="1.54028">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.057013" y3="-1.021867" z3="-0.762407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.58522" y3="0.912383" z3="0.858803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.608118" y3="-0.105872" z3="0.348548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.672197" y3="-1.566768" z3="-0.375098">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254871" y3="0.239626" z3="1.196906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905437" y3="0.175043" z3="-0.109893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.374151" y3="-0.721792" z3="-0.011788">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498526" y3="0.361875" z3="-0.191176">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.150395" y3="0.953673" z3="-0.284971">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.415815" y3="-1.145749" z3="-0.046032">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034393" y3="-2.16031" z3="-1.072995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.847877" y3="-2.01956" z3="0.127563">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.724094" y3="-0.285699" z3="-0.352655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.518754" y3="-2.217881" z3="0.06738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.873959" y3="-1.447048" z3="-0.128649">
                              <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="a28" x3="-1.029231" y3="1.896493" z3="-1.889038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.068545" y3="3.176059" z3="-0.653596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.457024" y3="4.418905" z3="0.993166">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.088467" y3="2.85509" z3="1.691348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.765129" y3="2.107508" z3="2.242803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="0.070877" y3="3.662671" z3="1.578999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.926984" y3="-0.429888" z3="-1.678716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.976471" y3="1.470289" z3="1.710532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.522954" y3="0.399485" z3="0.018275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.887986" y3="-0.715409" z3="1.21611">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.781311" y3="-2.289785" z3="0.451961">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.23715" y3="-2.097709" z3="-1.225243">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.51492" y3="0.979359" z3="1.505805">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.414643" y3="-0.450546" z3="2.038978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.803559" y3="1.815284" z3="-0.339866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.658338" y3="-2.789726" z3="-1.885655">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.188262" y3="-2.797181" z3="-0.194715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.008786" y3="-1.765585" z3="-1.376845">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.513901" y3="-2.863668" z3="0.262943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.944294" y3="-3.212941" z3="0.131762">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.604566" y3="1.495496" z3="-0.873154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.803179" y3="2.760377" z3="0.17687">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.63114" y3="1.167725" z3="-2.443995">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.009362" y3="1.889575" z3="-2.286645">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.454357" y3="2.895486" z3="-2.0016">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005917 0.1050949 0.0889452</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="O" id="a1" x3="-1.042577" y3="1.599646" z3="-0.474051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271648" y3="-2.6158" z3="0.011842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.727106" y3="-1.397399" z3="-1.052882">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.846019" y3="0.780972" z3="-0.475289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81626" y3="1.234697" z3="-0.119952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773664" y3="-0.461579" z3="-0.006345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262649" y3="1.938464" z3="-0.227495">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088948" y3="2.2563" z3="-0.740502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.441809" y3="2.60784" z3="0.201664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.269619" y3="3.368206" z3="1.207817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a11" x3="0.871486" y3="2.921962" z3="1.555167">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.055196" y3="-1.021285" z3="-0.764588">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.584395" y3="0.917046" z3="0.851695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a14" x3="-5.607332" y3="-0.101799" z3="0.342783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.672779" y3="-1.568295" z3="-0.371849">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.255162" y3="0.244037" z3="1.194097">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.905147" y3="0.173419" z3="-0.101688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373534" y3="-0.724908" z3="-0.005804">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498543" y3="0.359038" z3="-0.183699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.146888" y3="0.956381" z3="-0.28796">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="1.417349" y3="-1.146758" z3="-0.037985">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034617" y3="-2.157868" z3="-1.075545">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.846135" y3="-2.02213" z3="0.135745">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a24" x3="3.721594" y3="-0.282001" z3="-0.359138">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.520929" y3="-2.219494" z3="0.076744">
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                           <atom elementType="C" id="a26" x3="2.876285" y3="-1.445181" z3="-0.124535">
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                           <atom elementType="C" id="a27" x3="5.237848" y3="-0.314547" z3="-0.645497">
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                           <atom elementType="C" id="a28" x3="-1.028957" y3="1.887099" z3="-1.886477">
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                           <atom elementType="H" id="a29" x3="1.057837" y3="3.175206" z3="-0.639392">
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                           <atom elementType="H" id="a30" x3="2.453173" y3="4.41773" z3="1.001615">
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                           <atom elementType="H" id="a31" x3="3.092845" y3="2.853858" z3="1.692182">
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                           <atom elementType="H" id="a32" x3="0.774766" y3="2.09953" z3="2.256544">
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                           <atom elementType="H" id="a34" x3="-4.921296" y3="-0.431539" z3="-1.681872">
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                           <atom elementType="H" id="a35" x3="-4.976768" y3="1.477512" z3="1.701185">
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                           <atom elementType="H" id="a42" x3="3.798129" y3="1.819063" z3="-0.348043">
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                           <atom elementType="H" id="a44" x3="-6.192633" y3="-2.792475" z3="-0.196373">
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                           <atom elementType="H" id="a46" x3="-1.511496" y3="-2.866843" z3="0.270305">
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                           <atom elementType="H" id="a47" x3="0.947155" y3="-3.214279" z3="0.14102">
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                           <atom elementType="H" id="a48" x3="-3.600481" y3="1.494897" z3="-0.880275">
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                           <atom elementType="H" id="a49" x3="-3.801901" y3="2.763448" z3="0.165024">
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                           <atom elementType="H" id="a50" x3="-1.627991" y3="1.153938" z3="-2.438525">
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                           <atom elementType="H" id="a51" x3="-0.008512" y3="1.8814" z3="-2.28278">
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                           <atom elementType="H" id="a52" x3="-1.456784" y3="2.88427" z3="-2.004077">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0426,1.5996,-.4741;3.2716,-2.6158,.0118;5.7271,-1.3974,-1.0529;5.846,.781,-.4753;1.8163,1.2347,-.12;-2.7737,-.4616,-.0063;-4.2626,1.9385,-.2275;-5.0889,2.2563,-.7405;1.4418,2.6078,.2017;2.2696,3.3682,1.2078;.8715,2.922,1.5552;-5.0552,-1.0213,-.7646;-4.5844,.917,.8517;-5.6073,-.1018,.3428;-3.6728,-1.5683,-.3718;-3.2552,.244,1.1941;.9051,.1734,-.1017;-1.3735,-.7249,-.0058;-.4985,.359,-.1837;3.1469,.9564,-.288;1.4173,-1.1468,-.038;-6.0346,-2.1579,-1.0755;-.8461,-2.0221,.1357;3.7216,-.282,-.3591;.5209,-2.2195,.0767;2.8763,-1.4452,-.1245;5.2378,-.3145,-.6455;-1.029,1.8871,-1.8865;1.0578,3.1752,-.6394;2.4532,4.4177,1.0016;3.0928,2.8539,1.6922;.7748,2.0995,2.2565;.0727,3.6545,1.6002;-4.9213,-.4315,-1.6819;-4.9768,1.4775,1.7012;-6.5206,.4038,.0091;-5.8898,-.7085,1.2116;-3.7856,-2.2877,.4578;-3.2371,-2.1036,-1.2189;-2.5147,.9844,1.5005;-3.4164,-.4425,2.0388;3.7981,1.8191,-.348;-5.6579,-2.7899,-1.8859;-6.1926,-2.7925,-.1964;-7.0071,-1.7612,-1.3829;-1.5115,-2.8668,.2703;.9472,-3.2143,.141;-3.6005,1.4949,-.8803;-3.8019,2.7634,.165;-1.628,1.1539,-2.4385;-.0085,1.8814,-2.2828;-1.4568,2.8843,-2.0041;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4004720 0.1051372 0.0890326</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="O" id="a1" x3="-1.041281" y3="1.597975" z3="-0.472205">
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                           <atom elementType="O" id="a2" x3="3.272774" y3="-2.617733" z3="-0.003989">
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                           <atom elementType="O" id="a3" x3="5.729174" y3="-1.39512" z3="-1.048704">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.841957" y3="0.788802" z3="-0.492606">
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                           <atom elementType="N" id="a5" x3="1.815839" y3="1.233609" z3="-0.114683">
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                           <atom elementType="N" id="a6" x3="-2.772839" y3="-0.462121" z3="-0.006569">
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                           <atom elementType="N" id="a7" x3="-4.263777" y3="1.94022" z3="-0.236299">
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                           <atom elementType="H" id="a8" x3="-5.090567" y3="2.254466" z3="-0.750393">
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                           <atom elementType="C" id="a9" x3="1.439533" y3="2.605775" z3="0.208793">
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                           <atom elementType="C" id="a10" x3="2.267763" y3="3.367139" z3="1.213819">
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                           <atom elementType="C" id="a11" x3="0.871478" y3="2.917912" z3="1.563612">
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                           </atom>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.672912" y3="-1.569084" z3="-0.367957">
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                           <atom elementType="C" id="a16" x3="-3.25394" y3="0.249862" z3="1.189812">
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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="C" id="a20" x3="3.146009" y3="0.957035" z3="-0.285624">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034843" y3="-2.159358" z3="-1.070641">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
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                           <atom elementType="C" id="a24" x3="3.721034" y3="-0.28078" z3="-0.361703">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.092814" y3="2.854084" z3="1.69642">
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                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="0.071041" y3="3.648541" z3="1.610595">
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                           <atom elementType="H" id="a34" x3="-4.920291" y3="-0.435783" z3="-1.682425">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-4.975542" y3="1.484158" z3="1.693931">
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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="a37" x3="-5.888708" y3="-0.703236" z3="1.211953">
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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>
                           <atom elementType="H" id="a41" x3="-3.414352" y3="-0.432417" z3="2.038157">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a42" x3="3.797257" y3="1.819785" z3="-0.344632">
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                                 <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="H" id="a44" x3="-6.194094" y3="-2.790459" z3="-0.189171">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a46" x3="-1.510693" y3="-2.868735" z3="0.268682">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a47" x3="0.947583" y3="-3.216378" z3="0.135451">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a48" x3="-3.601176" y3="1.497138" z3="-0.888445">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.805618" y3="2.767593" z3="0.154103">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.62613" y3="1.15125" z3="-2.436557">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006048" y3="1.877229" z3="-2.280676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.453423" y3="2.881795" z3="-2.003577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4004193 0.1051626 0.0890397</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="O" id="a1" x3="-1.041217" y3="1.598935" z3="-0.471472">
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                           <atom elementType="O" id="a2" x3="3.270752" y3="-2.619832" z3="-0.013978">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="5.737409" y3="-1.401318" z3="-1.020255">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.839778" y3="0.79279" z3="-0.504421">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.816891" y3="1.233266" z3="-0.114825">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a6" x3="-2.772761" y3="-0.461819" z3="-0.006552">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.266592" y3="1.940564" z3="-0.237545">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-5.09419" y3="2.253096" z3="-0.751584">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.441255" y3="2.60566" z3="0.208711">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.268581" y3="3.366481" z3="1.214896">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.871569" y3="2.917842" z3="1.562806">
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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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                                 <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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                           <atom elementType="C" id="a20" x3="3.146898" y3="0.956102" z3="-0.2855">
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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="C" id="a22" x3="-6.034467" y3="-2.160931" z3="-1.068393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.845812" y3="-2.023378" z3="0.131555">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.722057" y3="-0.281794" z3="-0.361766">
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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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                                 <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>
                           <atom elementType="H" id="a33" x3="0.071325" y3="3.648721" z3="1.608912">
                              <property dictRef="g:atomicType">
                                 <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 elementType="H" id="a35" x3="-4.975894" y3="1.484813" z3="1.693607">
                              <property dictRef="g:atomicType">
                                 <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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                              <property dictRef="g:atomicType">
                                 <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>
                              </property>
                           </atom>
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                              <property dictRef="g:atomicType">
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                              </property>
                           </atom>
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                                 <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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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4004644 0.1051399 0.0889966</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="O" id="a1" x3="-1.041684" y3="1.598788" z3="-0.473678">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.269662" y3="-2.620726" z3="-0.016094">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.746232" y3="-1.406584" z3="-0.987275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.837103" y3="0.797153" z3="-0.513196">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.817152" y3="1.232986" z3="-0.11703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.772947" y3="-0.461895" z3="-0.006476">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.266882" y3="1.940152" z3="-0.231007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.094383" y3="2.251898" z3="-0.745783">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.441335" y3="2.605758" z3="0.204632">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267775" y3="3.367756" z3="1.210627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.870524" y3="2.919535" z3="1.557895">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.05572" y3="-1.02137" z3="-0.76177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.584168" y3="0.919169" z3="0.85011">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.60708" y3="-0.101185" z3="0.34509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673148" y3="-1.568251" z3="-0.369093">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.253209" y3="0.248253" z3="1.19112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905624" y3="0.171667" z3="-0.102564">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373545" y3="-0.725643" z3="-0.007321">
                              <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>
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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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                           <atom elementType="H" id="a47" x3="0.946819" y3="-3.216427" z3="0.127263">
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                           <atom elementType="H" id="a50" x3="-1.628405" y3="1.156039" z3="-2.438306">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4006365 0.1051205 0.0889747</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="O" id="a1" x3="-1.041992" y3="1.598618" z3="-0.471546">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a2" x3="3.269666" y3="-2.619949" z3="-0.010666">
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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="N" id="a6" x3="-2.772848" y3="-0.462177" z3="-0.005418">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.672641" y3="-1.568004" z3="-0.370545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.253832" y3="0.246588" z3="1.192532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905456" y3="0.17142" z3="-0.102127">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373447" y3="-0.725861" z3="-0.005892">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.497927" y3="0.357664" z3="-0.1827">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.146902" y3="0.955452" z3="-0.288392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417465" y3="-1.148729" z3="-0.043386">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034201" y3="-2.157018" z3="-1.075062">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.846048" y3="-2.023457" z3="0.132585">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.722463" y3="-0.282543" z3="-0.360554">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a25" x3="0.520847" y3="-2.221356" z3="0.070413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.876942" y3="-1.447153" z3="-0.133176">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a27" x3="5.240816" y3="-0.312763" z3="-0.637557">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a28" x3="-1.029392" y3="1.888423" z3="-1.883478">
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                           <atom elementType="H" id="a29" x3="1.05547" y3="3.171781" z3="-0.638284">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a30" x3="2.450206" y3="4.418167" z3="0.999542">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.093447" y3="2.856188" z3="1.691389">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a32" x3="0.778774" y3="2.098307" z3="2.259263">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a33" x3="0.071893" y3="3.650743" z3="1.602076">
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                           <atom elementType="H" id="a34" x3="-4.920971" y3="-0.430296" z3="-1.680276">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a35" x3="-4.975983" y3="1.478035" z3="1.701489">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a36" x3="-6.521366" y3="0.402469" z3="0.012364">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a37" x3="-5.887395" y3="-0.709535" z3="1.213732">
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                           <atom elementType="H" id="a38" x3="-3.785879" y3="-2.287192" z3="0.459311">
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                           <atom elementType="H" id="a40" x3="-2.514119" y3="0.988858" z3="1.496478">
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                           <atom elementType="H" id="a41" x3="-3.413166" y3="-0.437762" z3="2.039458">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="3.798895" y3="1.817426" z3="-0.350503">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a43" x3="-5.6568" y3="-2.78879" z3="-1.885258">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a44" x3="-6.19276" y3="-2.791772" z3="-0.19609">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a45" x3="-7.006481" y3="-1.760264" z3="-1.382974">
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                           <atom elementType="H" id="a46" x3="-1.511412" y3="-2.868159" z3="0.26701">
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                           <atom elementType="H" id="a47" x3="0.94701" y3="-3.216507" z3="0.130561">
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                           <atom elementType="H" id="a48" x3="-3.601062" y3="1.500114" z3="-0.879556">
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                           <atom elementType="H" id="a49" x3="-3.813582" y3="2.769123" z3="0.163429">
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                           <atom elementType="H" id="a50" x3="-1.633703" y3="1.159487" z3="-2.435301">
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                           </atom>
                           <atom elementType="H" id="a51" x3="-0.009825" y3="1.877336" z3="-2.281887">
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                           <atom elementType="H" id="a52" x3="-1.45168" y3="2.888211" z3="-1.998608">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.042,1.5986,-.4715;3.2697,-2.6199,-.0107;5.7475,-1.4106,-.9765;5.8361,.7975,-.5232;1.817,1.2327,-.1183;-2.7728,-.4622,-.0054;-4.2671,1.94,-.2285;-5.0941,2.2509,-.7443;1.4413,2.6057,.2028;2.269,3.3686,1.2072;.8725,2.9202,1.5567;-5.055,-1.0206,-.7634;-4.5847,.9179,.8513;-5.6071,-.1022,.3445;-3.6726,-1.568,-.3705;-3.2538,.2466,1.1925;.9055,.1714,-.1021;-1.3734,-.7259,-.0059;-.4979,.3577,-.1827;3.1469,.9555,-.2884;1.4175,-1.1487,-.0434;-6.0342,-2.157,-1.0751;-.846,-2.0235,.1326;3.7225,-.2825,-.3606;.5208,-2.2214,.0704;2.8769,-1.4472,-.1332;5.2408,-.3128,-.6376;-1.0294,1.8884,-1.8835;1.0555,3.1718,-.6383;2.4502,4.4182,.9995;3.0934,2.8562,1.6914;.7788,2.0983,2.2593;.0719,3.6507,1.6021;-4.921,-.4303,-1.6803;-4.976,1.478,1.7015;-6.5214,.4025,.0124;-5.8874,-.7095,1.2137;-3.7859,-2.2872,.4593;-3.2379,-2.1043,-1.2176;-2.5141,.9889,1.4965;-3.4132,-.4378,2.0395;3.7989,1.8174,-.3505;-5.6568,-2.7888,-1.8853;-6.1928,-2.7918,-.1961;-7.0065,-1.7603,-1.383;-1.5114,-2.8682,.267;.947,-3.2165,.1306;-3.6011,1.5001,-.8796;-3.8136,2.7691,.1634;-1.6337,1.1595,-2.4353;-.0098,1.8773,-2.2819;-1.4517,2.8882,-1.9986;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4006456 0.1051207 0.0889760</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="O" id="a1" x3="-1.041959" y3="1.598728" z3="-0.473203">
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                           <atom elementType="O" id="a2" x3="3.270033" y3="-2.619464" z3="-0.007193">
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                           <atom elementType="O" id="a3" x3="5.74668" y3="-1.408689" z3="-0.981435">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a4" x3="5.836398" y3="0.797399" z3="-0.518483">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.816747" y3="1.233038" z3="-0.118795">
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                           <atom elementType="N" id="a6" x3="-2.773046" y3="-0.461845" z3="-0.006993">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.267341" y3="1.939561" z3="-0.228785">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a8" x3="-5.094948" y3="2.251233" z3="-0.743258">
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                           </atom>
                           <atom elementType="C" id="a9" x3="1.441249" y3="2.605956" z3="0.202804">
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                           <atom elementType="C" id="a10" x3="2.268451" y3="3.367853" z3="1.208374">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.871419" y3="2.919877" z3="1.556439">
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                           <atom elementType="C" id="a12" x3="-5.055781" y3="-1.02065" z3="-0.762753">
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                           <atom elementType="C" id="a13" x3="-4.584119" y3="0.917774" z3="0.851667">
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                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606968" y3="-0.102292" z3="0.345748">
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                           <atom elementType="C" id="a15" x3="-3.673045" y3="-1.567896" z3="-0.371165">
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                           <atom elementType="C" id="a16" x3="-3.253028" y3="0.246581" z3="1.191684">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.905358" y3="0.171659" z3="-0.102653">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.373542" y3="-0.725771" z3="-0.007583">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.146814" y3="0.955599" z3="-0.28803">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a21" x3="1.417416" y3="-1.148515" z3="-0.043239">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a22" x3="-6.035211" y3="-2.157145" z3="-1.073477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.846235" y3="-2.023365" z3="0.131097">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.722463" y3="-0.282368" z3="-0.359584">
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                           <atom elementType="C" id="a25" x3="0.520727" y3="-2.221179" z3="0.069905">
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                           <atom elementType="H" id="a32" x3="0.776533" y3="2.09751" z3="2.258276">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a33" x3="0.071213" y3="3.650846" z3="1.601587">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a34" x3="-4.922734" y3="-0.430249" z3="-1.679803">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a35" x3="-4.974729" y3="1.478015" z3="1.702081">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a36" x3="-6.521502" y3="0.402355" z3="0.014338">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="H" id="a37" x3="-5.886496" y3="-0.709634" z3="1.215178">
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                           </atom>
                           <atom elementType="H" id="a41" x3="-3.411565" y3="-0.43788" z3="2.038653">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.798687" y3="1.817644" z3="-0.350038">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.658696" y3="-2.788855" z3="-1.88413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.192763" y3="-2.791962" z3="-0.194367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.007861" y3="-1.760438" z3="-1.380283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.511698" y3="-2.868098" z3="0.264952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.946833" y3="-3.216293" z3="0.130683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.602613" y3="1.498946" z3="-0.880715">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.812294" y3="2.768181" z3="0.162498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.631021" y3="1.15952" z3="-2.437828">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.007329" y3="1.877251" z3="-2.28217">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.44946" y3="2.888275" z3="-2.000986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.042,1.5987,-.4732;3.27,-2.6195,-.0072;5.7467,-1.4087,-.9814;5.8364,.7974,-.5185;1.8167,1.233,-.1188;-2.773,-.4618,-.007;-4.2673,1.9396,-.2288;-5.0949,2.2512,-.7433;1.4412,2.606,.2028;2.2685,3.3679,1.2084;.8714,2.9199,1.5564;-5.0558,-1.0207,-.7628;-4.5841,.9178,.8517;-5.607,-.1023,.3457;-3.673,-1.5679,-.3712;-3.253,.2466,1.1917;.9054,.1717,-.1027;-1.3735,-.7258,-.0076;-.498,.3578,-.184;3.1468,.9556,-.288;1.4174,-1.1485,-.0432;-6.0352,-2.1571,-1.0735;-.8462,-2.0234,.1311;3.7225,-.2824,-.3596;.5207,-2.2212,.0699;2.8769,-1.4469,-.1316;5.2407,-.3122,-.637;-1.0274,1.8884,-1.8852;1.0564,3.1727,-.6383;2.4504,4.4175,1.0017;3.0923,2.8547,1.6928;.7765,2.0975,2.2583;.0712,3.6508,1.6016;-4.9227,-.4302,-1.6798;-4.9747,1.478,1.7021;-6.5215,.4024,.0143;-5.8865,-.7096,1.2152;-3.7856,-2.2869,.4589;-3.2388,-2.1042,-1.2185;-2.513,.9888,1.495;-3.4116,-.4379,2.0387;3.7987,1.8176,-.35;-5.6587,-2.7889,-1.8841;-6.1928,-2.792,-.1944;-7.0079,-1.7604,-1.3803;-1.5117,-2.8681,.265;.9468,-3.2163,.1307;-3.6026,1.4989,-.8807;-3.8123,2.7682,.1625;-1.631,1.1595,-2.4378;-.0073,1.8773,-2.2822;-1.4495,2.8883,-2.001;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4006907 0.1051170 0.0889806</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="O" id="a1" x3="-1.04198" y3="1.598686" z3="-0.473256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.269969" y3="-2.619554" z3="-0.007345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.747455" y3="-1.40874" z3="-0.9791">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.836346" y3="0.797734" z3="-0.517873">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81674" y3="1.23298" z3="-0.119052">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773027" y3="-0.461883" z3="-0.007228">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.267179" y3="1.939597" z3="-0.228525">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.094849" y3="2.251555" z3="-0.742705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.441176" y3="2.605905" z3="0.202441">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.268329" y3="3.367872" z3="1.208006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871298" y3="2.919883" z3="1.556044">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.055889" y3="-1.020603" z3="-0.762694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583906" y3="0.917708" z3="0.851844">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606865" y3="-0.102266" z3="0.345938">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.6731" y3="-1.567897" z3="-0.371364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.252815" y3="0.246409" z3="1.191623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.905371" y3="0.171588" z3="-0.102976">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.725867" z3="-0.007948">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498026" y3="0.35776" z3="-0.184302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.146856" y3="0.955561" z3="-0.287944">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.41743" y3="-1.148579" z3="-0.043572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.035412" y3="-2.157065" z3="-1.073255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.846217" y3="-2.023472" z3="0.130622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.722577" y3="-0.282389" z3="-0.359272">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.520751" y3="-2.221264" z3="0.069454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.876972" y3="-1.446989" z3="-0.131737">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.241015" y3="-0.312094" z3="-0.635876">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.027714" y3="1.888629" z3="-1.885154">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.056353" y3="3.172613" z3="-0.638677">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.450233" y3="4.417528" z3="1.001293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.092228" y3="2.854773" z3="1.692502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.776387" y3="2.097563" z3="2.257932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.071085" y3="3.650848" z3="1.601115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.923008" y3="-0.430186" z3="-1.679758">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.974413" y3="1.477877" z3="1.702354">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.521407" y3="0.402459" z3="0.014665">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.886343" y3="-0.709657" z3="1.215349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.785524" y3="-2.286982" z3="0.458695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.239008" y3="-2.104148" z3="-1.218752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.512685" y3="0.988517" z3="1.494945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.411275" y3="-0.438163" z3="2.038516">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.798736" y3="1.817618" z3="-0.349764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.659077" y3="-2.788764" z3="-1.883999">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.1928" y3="-2.791902" z3="-0.19413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.008117" y3="-1.760331" z3="-1.379852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.51168" y3="-2.868217" z3="0.264393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.946872" y3="-3.216372" z3="0.130222">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.602698" y3="1.498939" z3="-0.880676">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.811821" y3="2.768045" z3="0.162774">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.631638" y3="1.159963" z3="-2.437807">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.0077" y3="1.877191" z3="-2.282413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.449496" y3="2.888585" z3="-2.00072">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.042,1.5987,-.4733;3.27,-2.6196,-.0073;5.7475,-1.4087,-.9791;5.8363,.7977,-.5179;1.8167,1.233,-.1191;-2.773,-.4619,-.0072;-4.2672,1.9396,-.2285;-5.0948,2.2516,-.7427;1.4412,2.6059,.2024;2.2683,3.3679,1.208;.8713,2.9199,1.556;-5.0559,-1.0206,-.7627;-4.5839,.9177,.8518;-5.6069,-.1023,.3459;-3.6731,-1.5679,-.3714;-3.2528,.2464,1.1916;.9054,.1716,-.103;-1.3735,-.7259,-.0079;-.498,.3578,-.1843;3.1469,.9556,-.2879;1.4174,-1.1486,-.0436;-6.0354,-2.1571,-1.0733;-.8462,-2.0235,.1306;3.7226,-.2824,-.3593;.5208,-2.2213,.0695;2.877,-1.447,-.1317;5.241,-.3121,-.6359;-1.0277,1.8886,-1.8852;1.0564,3.1726,-.6387;2.4502,4.4175,1.0013;3.0922,2.8548,1.6925;.7764,2.0976,2.2579;.0711,3.6508,1.6011;-4.923,-.4302,-1.6798;-4.9744,1.4779,1.7024;-6.5214,.4025,.0147;-5.8863,-.7097,1.2153;-3.7855,-2.287,.4587;-3.239,-2.1041,-1.2188;-2.5127,.9885,1.4949;-3.4113,-.4382,2.0385;3.7987,1.8176,-.3498;-5.6591,-2.7888,-1.884;-6.1928,-2.7919,-.1941;-7.0081,-1.7603,-1.3799;-1.5117,-2.8682,.2644;.9469,-3.2164,.1302;-3.6027,1.4989,-.8807;-3.8118,2.768,.1628;-1.6316,1.16,-2.4378;-.0077,1.8772,-2.2824;-1.4495,2.8886,-2.0007;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4007204 0.1051162 0.0889784</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="O" id="a1" x3="-1.0428" y3="1.59717" z3="-0.471439">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271614" y3="-2.617726" z3="0.001361">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.74286" y3="-1.407055" z3="-0.992607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833443" y3="0.800007" z3="-0.534894">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815509" y3="1.233222" z3="-0.117957">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.772949" y3="-0.46314" z3="-0.004437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.263484" y3="1.94027" z3="-0.227288">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.089391" y3="2.252685" z3="-0.744131">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.43969" y3="2.605871" z3="0.204122">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a10" x3="2.268248" y3="3.368118" z3="1.208264">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.872091" y3="2.919291" z3="1.558838">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.054005" y3="-1.019615" z3="-0.765417">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.584127" y3="0.917709" z3="0.851353">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.606789" y3="-0.100965" z3="0.342102">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.672831" y3="-1.568553" z3="-0.370621">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.254455" y3="0.244969" z3="1.193786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.904944" y3="0.171316" z3="-0.09945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.37341" y3="-0.72695" z3="-0.0035">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498443" y3="0.35685" z3="-0.180673">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.145211" y3="0.956483" z3="-0.290584">
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                           <atom elementType="C" id="a21" x3="1.417658" y3="-1.148503" z3="-0.038271">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034094" y3="-2.154777" z3="-1.078925">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.845715" y3="-2.024183" z3="0.136857">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.721274" y3="-0.281269" z3="-0.361853">
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                           <atom elementType="C" id="a25" x3="0.521414" y3="-2.221452" z3="0.076389">
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                           <atom elementType="C" id="a26" x3="2.877387" y3="-1.445991" z3="-0.127387">
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                           <atom elementType="C" id="a27" x3="5.238003" y3="-0.310325" z3="-0.647586">
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                           <atom elementType="C" id="a28" x3="-1.02858" y3="1.884846" z3="-1.883838">
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                           <atom elementType="H" id="a31" x3="3.09335" y3="2.855341" z3="1.691062">
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                           <atom elementType="H" id="a32" x3="0.778985" y3="2.096795" z3="2.260762">
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                           <atom elementType="H" id="a47" x3="0.947943" y3="-3.216299" z3="0.138633">
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                           <atom elementType="H" id="a48" x3="-3.596512" y3="1.500069" z3="-0.877272">
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                           <atom elementType="H" id="a49" x3="-3.809551" y3="2.768406" z3="0.166304">
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                           <atom elementType="H" id="a50" x3="-1.631443" y3="1.15449" z3="-2.435425">
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                           <atom elementType="H" id="a51" x3="-0.008474" y3="1.874119" z3="-2.280888">
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                           <atom elementType="H" id="a52" x3="-1.451836" y3="2.883974" z3="-2.001023">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0428,1.5972,-.4714;3.2716,-2.6177,.0014;5.7429,-1.4071,-.9926;5.8334,.8,-.5349;1.8155,1.2332,-.118;-2.7729,-.4631,-.0044;-4.2635,1.9403,-.2273;-5.0894,2.2527,-.7441;1.4397,2.6059,.2041;2.2682,3.3681,1.2083;.8721,2.9193,1.5588;-5.054,-1.0196,-.7654;-4.5841,.9177,.8514;-5.6068,-.101,.3421;-3.6728,-1.5686,-.3706;-3.2545,.245,1.1938;.9049,.1713,-.0994;-1.3734,-.7269,-.0035;-.4984,.3569,-.1807;3.1452,.9565,-.2906;1.4177,-1.1485,-.0383;-6.0341,-2.1548,-1.0789;-.8457,-2.0242,.1369;3.7213,-.2813,-.3619;.5214,-2.2215,.0764;2.8774,-1.446,-.1274;5.238,-.3103,-.6476;-1.0286,1.8848,-1.8838;1.0529,3.1725,-.6362;2.4492,4.4179,1.0014;3.0934,2.8553,1.6911;.779,2.0968,2.2608;.0716,3.6498,1.6056;-4.918,-.429,-1.6819;-4.9763,1.4775,1.7014;-6.5198,.405,.0085;-5.8894,-.7084,1.2105;-3.7879,-2.2875,.4592;-3.2371,-2.1052,-1.2169;-2.5143,.9862,1.499;-3.4154,-.4398,2.04;3.7963,1.8189,-.3561;-5.6564,-2.7867,-1.8889;-6.1946,-2.7897,-.2004;-7.0055,-1.7567,-1.388;-1.511,-2.869,.2714;.9479,-3.2163,.1386;-3.5965,1.5001,-.8773;-3.8096,2.7684,.1663;-1.6314,1.1545,-2.4354;-.0085,1.8741,-2.2809;-1.4518,2.884,-2.001;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005562 0.1051496 0.0890302</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="O" id="a1" x3="-1.042834" y3="1.597171" z3="-0.471594">
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                           <atom elementType="O" id="a2" x3="3.271727" y3="-2.617683" z3="0.000912">
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                           <atom elementType="H" id="a8" x3="-5.089616" y3="2.252454" z3="-0.744641">
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.904916" y3="0.171315" z3="-0.099689">
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                           <atom elementType="C" id="a23" x3="-0.845619" y3="-2.024153" z3="0.136887">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a42" x3="3.79632" y3="1.818879" z3="-0.356084">
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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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                           <atom elementType="H" id="a49" x3="-3.809417" y3="2.768165" z3="0.165214">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.630372" y3="1.155154" z3="-2.436084">
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                           <atom elementType="H" id="a51" x3="-0.007716" y3="1.875265" z3="-2.280404">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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                           <atom elementType="H" id="a52" x3="-1.45155" y3="2.884509" z3="-2.000787">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005604 0.1051443 0.0890264</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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                           <atom elementType="O" id="a2" x3="3.271732" y3="-2.617534" z3="0.000635">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a4" x3="5.833528" y3="0.800231" z3="-0.534515">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a5" x3="1.815308" y3="1.233309" z3="-0.118309">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a6" x3="-2.773035" y3="-0.463373" z3="-0.00405">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a7" x3="-4.263311" y3="1.940077" z3="-0.228155">
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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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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005710 0.1051464 0.0890296</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="O" id="a1" x3="-1.043049" y3="1.596977" z3="-0.472236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271854" y3="-2.617392" z3="0.000539">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.743009" y3="-1.406274" z3="-0.993483">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833363" y3="0.800617" z3="-0.534801">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815161" y3="1.233357" z3="-0.118461">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773031" y3="-0.463508" z3="-0.003901">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262971" y3="1.940106" z3="-0.228297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088715" y3="2.25274" z3="-0.74514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439364" y3="2.605846" z3="0.20456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.26772" y3="3.367199" z3="1.209561">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871382" y3="2.918269" z3="1.559318">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054176" y3="-1.019885" z3="-0.764943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.584006" y3="0.918228" z3="0.850799">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606849" y3="-0.100474" z3="0.342022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.67304" y3="-1.568816" z3="-0.369931">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254604" y3="0.245207" z3="1.193863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904752" y3="0.171314" z3="-0.100017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373515" y3="-0.727083" z3="-0.003448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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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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                                 <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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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a47" x3="0.948133" y3="-3.216235" z3="0.138364">
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                           <atom elementType="H" id="a50" x3="-1.628947" y3="1.154719" z3="-2.437161">
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                           <atom elementType="H" id="a51" x3="-0.006769" y3="1.875659" z3="-2.280316">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005835 0.1051481 0.0890332</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="O" id="a1" x3="-1.043094" y3="1.596935" z3="-0.472322">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a2" x3="3.271909" y3="-2.617327" z3="0.00031">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="5.742907" y3="-1.406151" z3="-0.993843">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="O" id="a4" x3="5.833368" y3="0.80066" z3="-0.534794">
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                           <atom elementType="N" id="a5" x3="1.815111" y3="1.233383" z3="-0.1185">
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                           <atom elementType="N" id="a6" x3="-2.773027" y3="-0.46355" z3="-0.00381">
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                           <atom elementType="N" id="a7" x3="-4.262838" y3="1.940119" z3="-0.228405">
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                           <atom elementType="C" id="a15" x3="-3.673049" y3="-1.56886" z3="-0.369792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254612" y3="0.245259" z3="1.19389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904732" y3="0.171315" z3="-0.100039">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373518" y3="-0.727098" z3="-0.003375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498651" y3="0.35671" z3="-0.181254">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.144887" y3="0.956851" z3="-0.291146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.417712" y3="-1.148392" z3="-0.038903">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034475" y3="-2.155043" z3="-1.077727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845525" y3="-2.024196" z3="0.137178">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.721188" y3="-0.280824" z3="-0.362675">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.521612" y3="-2.221385" z3="0.07616">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.877475" y3="-1.445666" z3="-0.128282">
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                           <atom elementType="C" id="a27" x3="5.237997" y3="-0.309587" z3="-0.648245">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a28" x3="-1.027223" y3="1.885255" z3="-1.884604">
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                           <atom elementType="H" id="a29" x3="1.052828" y3="3.173111" z3="-0.635347">
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                           <atom elementType="H" id="a30" x3="2.448673" y3="4.417079" z3="1.003963">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a31" x3="3.092456" y3="2.853762" z3="1.692328">
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                           <atom elementType="H" id="a32" x3="0.77768" y3="2.095054" z3="2.260628">
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                           <atom elementType="H" id="a34" x3="-4.917974" y3="-0.429911" z3="-1.681755">
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                           <atom elementType="H" id="a35" x3="-4.976159" y3="1.478788" z3="1.700267">
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                           <atom elementType="H" id="a36" x3="-6.519722" y3="0.405547" z3="0.007982">
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                           <atom elementType="H" id="a37" x3="-5.889645" y3="-0.707162" z3="1.210728">
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                           <atom elementType="H" id="a42" x3="3.795893" y3="1.819336" z3="-0.356435">
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                           <atom elementType="H" id="a43" x3="-5.656893" y3="-2.787511" z3="-1.887293">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a47" x3="0.948167" y3="-3.216227" z3="0.138374">
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                           <atom elementType="H" id="a48" x3="-3.596195" y3="1.499262" z3="-0.878239">
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                           <atom elementType="H" id="a49" x3="-3.808443" y3="2.768199" z3="0.164769">
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                           <atom elementType="H" id="a50" x3="-1.628757" y3="1.15466" z3="-2.437311">
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                           <atom elementType="H" id="a51" x3="-0.006586" y3="1.875582" z3="-2.280281">
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                           <atom elementType="H" id="a52" x3="-1.451154" y3="2.884087" z3="-2.001879">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0003;5.7429,-1.4062,-.9938;5.8334,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2628,1.9401,-.2284;-5.0885,2.2527,-.7454;1.4393,2.6058,.2046;2.2676,3.3671,1.2097;.8712,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.584,.9183,.8507;-5.6068,-.1004,.342;-3.673,-1.5689,-.3698;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2911;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0762;2.8775,-1.4457,-.1283;5.238,-.3096,-.6482;-1.0272,1.8853,-1.8846;1.0528,3.1731,-.6353;2.4487,4.4171,1.004;3.0925,2.8538,1.6923;.7777,2.0951,2.2606;.0709,3.6488,1.6064;-4.918,-.4299,-1.6818;-4.9762,1.4788,1.7003;-6.5197,.4055,.008;-5.8896,-.7072,1.2107;-3.7883,-2.2876,.4602;-3.2373,-2.1058,-1.2159;-2.5142,.9864,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8193,-.3564;-5.6569,-2.7875,-1.8873;-6.1951,-2.7894,-.1989;-7.0058,-1.757,-1.387;-1.5107,-2.869,.2721;.9482,-3.2162,.1384;-3.5962,1.4993,-.8782;-3.8084,2.7682,.1648;-1.6288,1.1547,-2.4373;-.0066,1.8756,-2.2803;-1.4512,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005870 0.1051493 0.0890348</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="O" id="a1" x3="-1.043119" y3="1.596907" z3="-0.472361">
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                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617303" z3="0.00026">
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                           <atom elementType="O" id="a3" x3="5.742917" y3="-1.406078" z3="-0.99386">
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                           <atom elementType="O" id="a4" x3="5.833318" y3="0.800752" z3="-0.534896">
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                           <atom elementType="N" id="a5" x3="1.815083" y3="1.233392" z3="-0.118527">
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                           <atom elementType="N" id="a6" x3="-2.773024" y3="-0.463578" z3="-0.003789">
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                           <atom elementType="N" id="a7" x3="-4.262753" y3="1.940105" z3="-0.228446">
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                           <atom elementType="H" id="a8" x3="-5.088426" y3="2.252676" z3="-0.745444">
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                           <atom elementType="C" id="a9" x3="1.439217" y3="2.605825" z3="0.204657">
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                           <atom elementType="C" id="a10" x3="2.26749" y3="3.367048" z3="1.209826">
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                           <atom elementType="C" id="a18" x3="-1.373515" y3="-0.72712" z3="-0.003365">
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                           <atom elementType="C" id="a22" x3="-6.034501" y3="-2.155012" z3="-1.077692">
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                           <atom elementType="C" id="a23" x3="-0.845515" y3="-2.024216" z3="0.137193">
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                           <atom elementType="H" id="a42" x3="3.795848" y3="1.819381" z3="-0.356485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656932" y3="-2.787504" z3="-1.887245">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195174" y3="-2.78936" z3="-0.198808">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005805" y3="-1.756952" z3="-1.387015">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510669" y3="-2.869054" z3="0.272135">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948191" y3="-3.216229" z3="0.138381">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596071" y3="1.4992" z3="-0.878219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808361" y3="2.768199" z3="0.164703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628703" y3="1.154684" z3="-2.437384">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006489" y3="1.875488" z3="-2.280265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.451001" y3="2.884096" z3="-2.001936">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4724;3.2719,-2.6173,.0003;5.7429,-1.4061,-.9939;5.8333,.8008,-.5349;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2628,1.9401,-.2284;-5.0884,2.2527,-.7454;1.4392,2.6058,.2047;2.2675,3.367,1.2098;.8711,2.918,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0762;2.8775,-1.4456,-.1283;5.238,-.3095,-.6483;-1.0271,1.8852,-1.8846;1.0528,3.1731,-.6353;2.4486,4.417,1.0041;3.0924,2.8537,1.6924;.7776,2.0949,2.2606;.0708,3.6487,1.6065;-4.9179,-.4299,-1.6817;-4.9761,1.4788,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2107;-3.7884,-2.2876,.4603;-3.2373,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7958,1.8194,-.3565;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.5961,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6287,1.1547,-2.4374;-.0065,1.8755,-2.2803;-1.451,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005904 0.1051500 0.0890357</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="O" id="a1" x3="-1.043121" y3="1.596906" z3="-0.472355">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617309" z3="0.000206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.74288" y3="-1.40607" z3="-0.993997">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833354" y3="0.800703" z3="-0.534759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81509" y3="1.23339" z3="-0.118515">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463579" z3="-0.003781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262749" y3="1.940096" z3="-0.228455">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088417" y3="2.252641" z3="-0.745478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439221" y3="2.605825" z3="0.204647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267472" y3="3.367058" z3="1.20983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871119" y3="2.918045" z3="1.559406">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.05414" y3="-1.019894" z3="-0.76487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918348" z3="0.850722">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606805" y3="-0.100343" z3="0.341979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.67306" y3="-1.568886" z3="-0.369738">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.245262" z3="1.193912">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.90473" y3="0.171312" z3="-0.10005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373509" y3="-0.72712" z3="-0.003357">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498659" y3="0.356695" z3="-0.181256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.144871" y3="0.956879" z3="-0.291169">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148391" z3="-0.038923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034497" y3="-2.15501" z3="-1.077691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024217" z3="0.137197">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.721178" y3="-0.280786" z3="-0.362711">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.221396" z3="0.076158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.877476" y3="-1.445646" z3="-0.128338">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.237979" y3="-0.309536" z3="-0.648296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.027144" y3="1.885241" z3="-1.884636">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.052833" y3="3.173137" z3="-0.635342">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.44858" y3="4.417047" z3="1.004109">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.092323" y3="2.853699" z3="1.692437">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.777506" y3="2.09497" z3="2.260577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.070734" y3="3.648711" z3="1.606411">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.917939" y3="-0.42992" z3="-1.681729">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.976106" y3="1.478854" z3="1.700241">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.519684" y3="0.405608" z3="0.007972">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.889652" y3="-0.707089" z3="1.210752">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.788362" y3="-2.287574" z3="0.460275">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.237346" y3="-2.105871" z3="-1.215825">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.51419" y3="0.986335" z3="1.499107">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.41606" y3="-0.439093" z3="2.040408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.795857" y3="1.81938" z3="-0.356448">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656925" y3="-2.787499" z3="-1.887244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195175" y3="-2.789361" z3="-0.198809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.0058" y3="-1.756949" z3="-1.387017">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510666" y3="-2.869053" z3="0.272147">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948197" y3="-3.216229" z3="0.138371">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596042" y3="1.499187" z3="-0.878202">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808381" y3="2.768206" z3="0.164688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628742" y3="1.154721" z3="-2.437375">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006492" y3="1.875447" z3="-2.280268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450957" y3="2.884122" z3="-2.001918">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005899 0.1051501 0.0890357</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="O" id="a1" x3="-1.043122" y3="1.596906" z3="-0.472345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617312" z3="0.000221">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742893" y3="-1.406076" z3="-0.99396">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833348" y3="0.800711" z3="-0.534795">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815091" y3="1.233387" z3="-0.118508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463581" z3="-0.003782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a7" x3="-4.262751" y3="1.940088" z3="-0.228458">
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                           <atom elementType="H" id="a8" x3="-5.088417" y3="2.252624" z3="-0.745489">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.439228" y3="2.605825" z3="0.204643">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.267479" y3="3.36706" z3="1.209824">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.871122" y3="2.918058" z3="1.559398">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.054142" y3="-1.019893" z3="-0.76487">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.583928" y3="0.918344" z3="0.850724">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100346" z3="0.341982">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.673062" y3="-1.568887" z3="-0.36974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245257" z3="1.193913">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.90473" y3="0.171311" z3="-0.100047">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.373509" y3="-0.727122" z3="-0.003359">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-0.498659" y3="0.356693" z3="-0.181253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.144872" y3="0.956874" z3="-0.291167">
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                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148393" z3="-0.038922">
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                           <atom elementType="C" id="a22" x3="-6.034499" y3="-2.155009" z3="-1.077695">
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                           <atom elementType="C" id="a23" x3="-0.845513" y3="-2.02422" z3="0.137191">
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                           <atom elementType="C" id="a24" x3="3.721181" y3="-0.28079" z3="-0.362707">
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                           <atom elementType="C" id="a25" x3="0.521623" y3="-2.221398" z3="0.076154">
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                           <atom elementType="C" id="a27" x3="5.23798" y3="-0.309536" z3="-0.648294">
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                           <atom elementType="H" id="a31" x3="3.092325" y3="2.8537" z3="1.692438">
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                           <atom elementType="H" id="a50" x3="-1.628766" y3="1.154751" z3="-2.437365">
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                           <atom elementType="H" id="a51" x3="-0.0065" y3="1.875439" z3="-2.280263">
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                           <atom elementType="H" id="a52" x3="-1.450943" y3="2.884143" z3="-2.001892">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2628,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0762;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0528,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2373,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005897 0.1051501 0.0890356</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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                           <atom elementType="C" id="a17" x3="0.90473" y3="0.17131" z3="-0.100049">
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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>
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                           <atom elementType="H" id="a50" x3="-1.628763" y3="1.154755" z3="-2.437369">
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                           <atom elementType="H" id="a51" x3="-0.006499" y3="1.875444" z3="-2.280263">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5347;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0529,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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">
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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="N" id="a5" x3="1.81509" y3="1.233386" z3="-0.118505">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043123" y3="1.596905" z3="-0.472349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.00021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.74288" y3="-1.40606" z3="-0.994026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833359" y3="0.8007" z3="-0.534731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815091" y3="1.233386" z3="-0.118502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463583" z3="-0.003782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262748" y3="1.940086" z3="-0.228472">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088411" y3="2.252614" z3="-0.745511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439228" y3="2.605825" z3="0.204649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267476" y3="3.36706" z3="1.209832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871117" y3="2.918058" z3="1.5594">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054144" y3="-1.019897" z3="-0.764864">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918349" z3="0.850716">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100342" z3="0.341984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673063" y3="-1.568889" z3="-0.369734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.245262" z3="1.193909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904729" y3="0.17131" z3="-0.10005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727124" z3="-0.003362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-0.498659" y3="0.356692" z3="-0.181258">
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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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                                 <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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                           <atom elementType="H" id="a47" x3="0.948198" y3="-3.216232" z3="0.13835">
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                           <atom elementType="H" id="a51" x3="-0.006496" y3="1.875444" z3="-2.280263">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472346">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000231">
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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="O" id="a4" x3="5.833346" y3="0.800715" z3="-0.534789">
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                           <atom elementType="N" id="a5" x3="1.815089" y3="1.233386" z3="-0.118505">
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                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463586" z3="-0.00378">
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                           <atom elementType="N" id="a7" x3="-4.262746" y3="1.940087" z3="-0.228457">
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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568889" z3="-0.36974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245253" z3="1.193915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727126" z3="-0.00336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.35669" z3="-0.181256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.14487" y3="0.956873" z3="-0.291164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034501" y3="-2.155007" z3="-1.077694">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024224" z3="0.137187">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.721182" y3="-0.280792" z3="-0.362705">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.521625" y3="-2.2214" z3="0.076149">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.877478" y3="-1.445651" z3="-0.128328">
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                           <atom elementType="C" id="a27" x3="5.237981" y3="-0.309533" z3="-0.64829">
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                           <atom elementType="C" id="a28" x3="-1.02715" y3="1.885254" z3="-1.884623">
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                           <atom elementType="H" id="a29" x3="1.05285" y3="3.173135" z3="-0.635355">
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                           <atom elementType="H" id="a30" x3="2.448597" y3="4.417048" z3="1.00409">
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                           <atom elementType="H" id="a31" x3="3.092324" y3="2.853702" z3="1.692438">
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                           <atom elementType="H" id="a32" x3="0.777504" y3="2.094994" z3="2.260571">
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                           <atom elementType="H" id="a34" x3="-4.917941" y3="-0.429913" z3="-1.681724">
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                           <atom elementType="H" id="a35" x3="-4.9761" y3="1.478854" z3="1.700243">
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                           <atom elementType="H" id="a41" x3="-3.416062" y3="-0.439104" z3="2.040408">
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                           <atom elementType="H" id="a44" x3="-6.195178" y3="-2.789361" z3="-0.198816">
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                           <atom elementType="H" id="a48" x3="-3.596027" y3="1.499175" z3="-0.878189">
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                           <atom elementType="H" id="a50" x3="-1.628771" y3="1.154756" z3="-2.437368">
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                           <atom elementType="H" id="a51" x3="-0.006504" y3="1.875438" z3="-2.280264">
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                           <atom elementType="H" id="a52" x3="-1.450944" y3="2.884146" z3="-2.001887">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0272,1.8853,-1.8846;1.0529,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043123" y3="1.596904" z3="-0.472349">
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                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000215">
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                           <atom elementType="N" id="a7" x3="-4.262746" y3="1.940087" z3="-0.22847">
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                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.252616" z3="-0.745508">
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                           <atom elementType="C" id="a9" x3="1.439227" y3="2.605825" z3="0.204648">
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                           <atom elementType="C" id="a10" x3="2.267476" y3="3.36706" z3="1.20983">
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                           <atom elementType="C" id="a23" x3="-0.845513" y3="-2.024223" z3="0.137184">
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                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656931" y3="-2.787504" z3="-1.887234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195176" y3="-2.789362" z3="-0.198798">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005805" y3="-1.756953" z3="-1.387006">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510667" y3="-2.86906" z3="0.272126">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948198" y3="-3.216233" z3="0.138351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596028" y3="1.499171" z3="-0.8782">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808394" y3="2.768208" z3="0.164669">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628762" y3="1.154757" z3="-2.437373">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006497" y3="1.875443" z3="-2.280264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450941" y3="2.884146" z3="-2.001891">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5347;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0529,3.1731,-.6353;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742898" y3="-1.406074" z3="-0.99395">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833346" y3="0.800715" z3="-0.534792">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233385" z3="-0.118506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463586" z3="-0.003779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262747" y3="1.940088" z3="-0.228451">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.252621" z3="-0.745488">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439228" y3="2.605825" z3="0.204639">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267481" y3="3.367065" z3="1.209815">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871123" y3="2.918066" z3="1.559391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054143" y3="-1.019891" z3="-0.764871">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583927" y3="0.918341" z3="0.850727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100346" z3="0.341984">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568888" z3="-0.369742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.24525" z3="1.193917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904729" y3="0.171309" z3="-0.100048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.373509" y3="-0.727126" z3="-0.003359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.356689" z3="-0.181255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.144871" y3="0.956872" z3="-0.291164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.0345" y3="-2.155005" z3="-1.077699">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024224" z3="0.137188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.721182" y3="-0.280793" z3="-0.362703">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.521625" y3="-2.2214" z3="0.07615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.877478" y3="-1.445652" z3="-0.128325">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.237981" y3="-0.309535" z3="-0.648288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.027153" y3="1.885253" z3="-1.884622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.05285" y3="3.173133" z3="-0.635359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.448598" y3="4.41705" z3="1.004082">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.092326" y3="2.853706" z3="1.692433">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.777506" y3="2.094999" z3="2.26057">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.070741" y3="3.648735" z3="1.606388">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.91794" y3="-0.42991" z3="-1.681724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.976101" y3="1.478849" z3="1.700247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.519687" y3="0.405607" z3="0.007979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.889654" y3="-0.707095" z3="1.210754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.788366" y3="-2.287581" z3="0.460266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.237351" y3="-2.105869" z3="-1.215834">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.51419" y3="0.98632" z3="1.499116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.416063" y3="-0.439108" z3="2.040409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.795857" y3="1.819371" z3="-0.356445">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656928" y3="-2.787489" z3="-1.887257">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195177" y3="-2.789362" z3="-0.198822">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005803" y3="-1.756942" z3="-1.387022">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510666" y3="-2.869062" z3="0.272129">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948199" y3="-3.216233" z3="0.13836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596027" y3="1.499177" z3="-0.878184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808395" y3="2.768206" z3="0.164694">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628777" y3="1.154757" z3="-2.437365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006508" y3="1.875435" z3="-2.280266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450945" y3="2.884146" z3="-2.001885">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043124" y3="1.596904" z3="-0.472348">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000219">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742887" y3="-1.406061" z3="-0.994004">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833354" y3="0.800707" z3="-0.534751">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233386" z3="-0.118502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.77302" y3="-0.463585" z3="-0.003781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262747" y3="1.940086" z3="-0.22847">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.252614" z3="-0.745508">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.439228" y3="2.605825" z3="0.204648">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.267478" y3="3.367061" z3="1.209829">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.871119" y3="2.91806" z3="1.5594">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.054144" y3="-1.019896" z3="-0.764865">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918348" z3="0.850718">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100342" z3="0.341984">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568889" z3="-0.369735">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.24526" z3="1.19391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.904729" y3="0.171309" z3="-0.10005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727125" z3="-0.003363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.35669" z3="-0.181258">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.144871" y3="0.956873" z3="-0.291159">
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                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038929">
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                           <atom elementType="C" id="a22" x3="-6.034502" y3="-2.155013" z3="-1.077682">
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                           <atom elementType="C" id="a23" x3="-0.845513" y3="-2.024223" z3="0.137182">
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                           <atom elementType="C" id="a24" x3="3.721181" y3="-0.280791" z3="-0.362706">
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                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.2214" z3="0.076142">
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                           <atom elementType="C" id="a26" x3="2.877477" y3="-1.445652" z3="-0.128335">
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                           <atom elementType="C" id="a28" x3="-1.027146" y3="1.885257" z3="-1.884624">
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                           <atom elementType="H" id="a31" x3="3.092321" y3="2.8537" z3="1.692447">
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                           <atom elementType="H" id="a32" x3="0.777501" y3="2.09499" z3="2.260575">
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                           <atom elementType="H" id="a50" x3="-1.628765" y3="1.15476" z3="-2.437372">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0529,3.1731,-.6353;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043126" y3="1.596901" z3="-0.472347">
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                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
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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="a50" x3="-1.628772" y3="1.154755" z3="-2.437369">
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                           <atom elementType="H" id="a51" x3="-0.006505" y3="1.875437" z3="-2.280265">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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">
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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="N" id="a6" x3="-2.77302" y3="-0.463585" z3="-0.003781">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000235">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742898" y3="-1.406072" z3="-0.993951">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833345" y3="0.800717" z3="-0.534793">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815089" y3="1.233385" z3="-0.118506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463587" z3="-0.003779">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262746" y3="1.940088" z3="-0.228453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088409" y3="2.252621" z3="-0.74549">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439227" y3="2.605825" z3="0.20464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.26748" y3="3.367064" z3="1.209816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871123" y3="2.918064" z3="1.559393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.054143" y3="-1.019891" z3="-0.76487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918341" z3="0.850726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100345" z3="0.341983">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568888" z3="-0.369741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245251" z3="1.193916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727127" z3="-0.00336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
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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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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.521625" y3="-2.2214" z3="0.07615">
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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="a47" x3="0.948199" y3="-3.216233" z3="0.13836">
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                           <atom elementType="H" id="a51" x3="-0.006506" y3="1.875436" z3="-2.280265">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043123" y3="1.596904" z3="-0.472349">
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                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000216">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="O" id="a3" x3="5.742885" y3="-1.406061" z3="-0.99401">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a7" x3="-4.262747" y3="1.940087" z3="-0.228469">
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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568889" z3="-0.369735">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.24526" z3="1.19391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904729" y3="0.171309" z3="-0.10005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727125" z3="-0.003362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498659" y3="0.356691" z3="-0.181258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.144872" y3="0.956873" z3="-0.291159">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038929">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034502" y3="-2.155013" z3="-1.077682">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845513" y3="-2.024223" z3="0.137183">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.721181" y3="-0.280791" z3="-0.362706">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.221399" z3="0.076143">
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                           <atom elementType="C" id="a26" x3="2.877477" y3="-1.445651" z3="-0.128336">
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                           <atom elementType="C" id="a27" x3="5.23798" y3="-0.309533" z3="-0.648292">
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                           <atom elementType="C" id="a28" x3="-1.027146" y3="1.885256" z3="-1.884625">
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                           <atom elementType="H" id="a29" x3="1.052849" y3="3.173136" z3="-0.635348">
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                           <atom elementType="H" id="a30" x3="2.448594" y3="4.417047" z3="1.004101">
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                           <atom elementType="H" id="a31" x3="3.092322" y3="2.853701" z3="1.692446">
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                           <atom elementType="H" id="a32" x3="0.777502" y3="2.094989" z3="2.260576">
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                           <atom elementType="H" id="a34" x3="-4.917944" y3="-0.429922" z3="-1.681723">
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                           <atom elementType="H" id="a35" x3="-4.976099" y3="1.478863" z3="1.700234">
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                           <atom elementType="H" id="a41" x3="-3.416061" y3="-0.439093" z3="2.040407">
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                           <atom elementType="H" id="a44" x3="-6.195176" y3="-2.789363" z3="-0.1988">
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                           <atom elementType="H" id="a47" x3="0.948198" y3="-3.216233" z3="0.138351">
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                           <atom elementType="H" id="a49" x3="-3.808395" y3="2.768208" z3="0.16467">
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                           <atom elementType="H" id="a50" x3="-1.628764" y3="1.154757" z3="-2.437372">
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                           <atom elementType="H" id="a51" x3="-0.006498" y3="1.875442" z3="-2.280264">
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                           <atom elementType="H" id="a52" x3="-1.450941" y3="2.884146" z3="-2.001891">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5347;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0528,3.1731,-.6353;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472346">
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                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000232">
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                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233385" z3="-0.118505">
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                           <atom elementType="N" id="a7" x3="-4.262747" y3="1.940088" z3="-0.228455">
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                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.25262" z3="-0.745491">
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                           <atom elementType="C" id="a10" x3="2.26748" y3="3.367064" z3="1.209818">
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                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024224" z3="0.137186">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656929" y3="-2.787492" z3="-1.887252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195177" y3="-2.789362" z3="-0.198817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005804" y3="-1.756944" z3="-1.387019">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510666" y3="-2.869061" z3="0.272128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948199" y3="-3.216233" z3="0.138358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596027" y3="1.499176" z3="-0.878188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808394" y3="2.768206" z3="0.164689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628774" y3="1.154756" z3="-2.437367">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006506" y3="1.875437" z3="-2.280266">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450945" y3="2.884145" z3="-2.001887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0272,1.8853,-1.8846;1.0528,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043124" y3="1.596904" z3="-0.472351">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.74288" y3="-1.406056" z3="-0.99403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833358" y3="0.800703" z3="-0.534733">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815089" y3="1.233387" z3="-0.118502">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463585" z3="-0.003781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262745" y3="1.940086" z3="-0.228477">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088409" y3="2.252612" z3="-0.745518">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439226" y3="2.605825" z3="0.204652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267474" y3="3.367058" z3="1.209836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871116" y3="2.918054" z3="1.559404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054145" y3="-1.019898" z3="-0.764862">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583925" y3="0.918351" z3="0.850713">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.10034" z3="0.341983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.56889" z3="-0.369731">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.245264" z3="1.193908">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.17131" z3="-0.100051">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727125" z3="-0.003363">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.356691" z3="-0.181259">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.144871" y3="0.956875" z3="-0.291158">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034503" y3="-2.155016" z3="-1.077675">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024223" z3="0.137183">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.721181" y3="-0.28079" z3="-0.362709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.221399" z3="0.076141">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.877477" y3="-1.445651" z3="-0.128341">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.23798" y3="-0.309532" z3="-0.648296">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.027142" y3="1.885257" z3="-1.884627">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.052849" y3="3.173138" z3="-0.635343">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.448592" y3="4.417044" z3="1.004112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.092318" y3="2.853696" z3="1.692453">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.777498" y3="2.094982" z3="2.260577">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.070733" y3="3.648723" z3="1.606404">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.917944" y3="-0.429927" z3="-1.681723">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.976098" y3="1.47887" z3="1.700227">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.519687" y3="0.40561" z3="0.007975">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.889652" y3="-0.70708" z3="1.210761">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.788364" y3="-2.287576" z3="0.460285">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.237354" y3="-2.105879" z3="-1.215819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.514188" y3="0.986337" z3="1.499099">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.416061" y3="-0.439086" z3="2.040407">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.795858" y3="1.819375" z3="-0.356427">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656932" y3="-2.787509" z3="-1.887226">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195178" y3="-2.789362" z3="-0.19879">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005806" y3="-1.756956" z3="-1.387001">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510666" y3="-2.86906" z3="0.272125">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948199" y3="-3.216232" z3="0.138347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596026" y3="1.499168" z3="-0.878205">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808394" y3="2.768209" z3="0.164659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628757" y3="1.154758" z3="-2.437377">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006492" y3="1.875444" z3="-2.280262">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450936" y3="2.884148" z3="-2.001893">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4724;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5347;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2047;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9184,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0528,3.1731,-.6353;2.4486,4.417,1.0041;3.0923,2.8537,1.6925;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1383;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742897" y3="-1.406071" z3="-0.993958">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833346" y3="0.800715" z3="-0.534786">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815089" y3="1.233386" z3="-0.118506">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a6" x3="-2.77302" y3="-0.463586" z3="-0.00378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="N" id="a7" x3="-4.262746" y3="1.940088" z3="-0.228455">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.25262" z3="-0.745492">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.439228" y3="2.605825" z3="0.204641">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.26748" y3="3.367064" z3="1.209818">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.871123" y3="2.918064" z3="1.559394">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.054143" y3="-1.019892" z3="-0.76487">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918342" z3="0.850725">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100344" z3="0.341983">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568889" z3="-0.369741">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245252" z3="1.193915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727126" z3="-0.00336">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.35669" z3="-0.181256">
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                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038925">
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                           <atom elementType="C" id="a22" x3="-6.034501" y3="-2.155006" z3="-1.077695">
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                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024224" z3="0.137186">
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                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.2214" z3="0.076148">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0272,1.8853,-1.8846;1.0528,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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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                           <atom elementType="H" id="a42" x3="3.795858" y3="1.819373" z3="-0.356431">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                              </property>
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                           <atom elementType="H" id="a50" x3="-1.628764" y3="1.154759" z3="-2.437373">
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                           <atom elementType="H" id="a51" x3="-0.006498" y3="1.875442" z3="-2.280263">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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">
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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="N" id="a5" x3="1.81509" y3="1.233385" z3="-0.118506">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051500 0.0890356</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="O" id="a1" x3="-1.043123" y3="1.596904" z3="-0.472349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617313" z3="0.000216">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742885" y3="-1.406061" z3="-0.99401">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833355" y3="0.800706" z3="-0.534747">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233386" z3="-0.118503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463585" z3="-0.003781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262747" y3="1.940087" z3="-0.228471">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088411" y3="2.252615" z3="-0.745509">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439227" y3="2.605825" z3="0.204649">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.267477" y3="3.36706" z3="1.20983">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871119" y3="2.918058" z3="1.559401">
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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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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568889" z3="-0.369734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.245261" z3="1.19391">
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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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                                 <scalar dataType="xsd:integer">0</scalar>
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                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472346">
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                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000236">
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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568888" z3="-0.369742">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.24525" z3="1.193917">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100048">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727127" z3="-0.00336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.356689" z3="-0.181255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a20" x3="3.14487" y3="0.956872" z3="-0.291164">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038923">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034501" y3="-2.155004" z3="-1.077699">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024225" z3="0.137188">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a24" x3="3.721182" y3="-0.280792" z3="-0.362704">
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                           <atom elementType="C" id="a25" x3="0.521625" y3="-2.2214" z3="0.07615">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a26" x3="2.877478" y3="-1.445652" z3="-0.128325">
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                           <atom elementType="C" id="a27" x3="5.237981" y3="-0.309533" z3="-0.648288">
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                           <atom elementType="C" id="a28" x3="-1.027153" y3="1.885253" z3="-1.884623">
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                           <atom elementType="H" id="a29" x3="1.052848" y3="3.173134" z3="-0.635358">
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                           <atom elementType="H" id="a30" x3="2.448598" y3="4.41705" z3="1.004083">
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                           <atom elementType="H" id="a31" x3="3.092326" y3="2.853706" z3="1.692432">
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                           <atom elementType="H" id="a32" x3="0.777508" y3="2.094997" z3="2.260571">
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                           <atom elementType="H" id="a34" x3="-4.91794" y3="-0.42991" z3="-1.681724">
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                           <atom elementType="H" id="a35" x3="-4.976101" y3="1.47885" z3="1.700247">
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                           <atom elementType="H" id="a43" x3="-5.656929" y3="-2.787489" z3="-1.887256">
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                           <atom elementType="H" id="a47" x3="0.948199" y3="-3.216233" z3="0.13836">
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                           <atom elementType="H" id="a50" x3="-1.628775" y3="1.154756" z3="-2.437367">
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                           <atom elementType="H" id="a51" x3="-0.006507" y3="1.875435" z3="-2.280266">
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                           <atom elementType="H" id="a52" x3="-1.450945" y3="2.884145" z3="-2.001887">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.9939;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2452,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0272,1.8853,-1.8846;1.0528,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4788,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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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                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617313" z3="0.000219">
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                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233386" z3="-0.118502">
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                           <atom elementType="N" id="a6" x3="-2.77302" y3="-0.463585" z3="-0.003781">
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                           <atom elementType="N" id="a7" x3="-4.262746" y3="1.940086" z3="-0.228469">
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                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.252614" z3="-0.745508">
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                           <atom elementType="C" id="a9" x3="1.439227" y3="2.605825" z3="0.204647">
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                           <atom elementType="C" id="a10" x3="2.267478" y3="3.367061" z3="1.209828">
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                           <atom elementType="C" id="a11" x3="0.871119" y3="2.91806" z3="1.5594">
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                           <atom elementType="C" id="a23" x3="-0.845513" y3="-2.024224" z3="0.137183">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656932" y3="-2.787502" z3="-1.887236">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195177" y3="-2.789362" z3="-0.1988">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005806" y3="-1.756952" z3="-1.387007">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510667" y3="-2.869061" z3="0.272124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948198" y3="-3.216233" z3="0.13835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596027" y3="1.499171" z3="-0.878199">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808395" y3="2.768207" z3="0.16467">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628766" y3="1.15476" z3="-2.437372">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006499" y3="1.875441" z3="-2.280264">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450939" y3="2.884148" z3="-2.001888">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0529,3.1731,-.6353;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043126" y3="1.596902" z3="-0.472347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000234">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742898" y3="-1.406072" z3="-0.993952">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833345" y3="0.800717" z3="-0.534794">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.815089" y3="1.233386" z3="-0.118507">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.77302" y3="-0.463587" z3="-0.003778">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262745" y3="1.940088" z3="-0.228454">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.088408" y3="2.25262" z3="-0.745491">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439227" y3="2.605825" z3="0.204641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.26748" y3="3.367064" z3="1.209818">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871123" y3="2.918063" z3="1.559394">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a12" x3="-5.054143" y3="-1.019891" z3="-0.76487">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918342" z3="0.850726">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100344" z3="0.341983">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568889" z3="-0.36974">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245251" z3="1.193916">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727127" z3="-0.003359">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.498661" y3="0.356689" z3="-0.181255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.14487" y3="0.956873" z3="-0.291165">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038924">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034501" y3="-2.155005" z3="-1.077697">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024224" z3="0.137188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.721182" y3="-0.280792" z3="-0.362705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.521625" y3="-2.2214" z3="0.07615">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.877478" y3="-1.445651" z3="-0.128326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.237981" y3="-0.309533" z3="-0.648289">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.027151" y3="1.885253" z3="-1.884623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.052848" y3="3.173135" z3="-0.635356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.448597" y3="4.417049" z3="1.004087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.092325" y3="2.853704" z3="1.692434">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.777507" y3="2.094995" z3="2.260572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.07074" y3="3.648732" z3="1.606393">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.91794" y3="-0.429912" z3="-1.681724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.976101" y3="1.478852" z3="1.700244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.519686" y3="0.405609" z3="0.007978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.889655" y3="-0.707093" z3="1.210754">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.788367" y3="-2.287581" z3="0.460269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.237352" y3="-2.105871" z3="-1.215831">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.51419" y3="0.986321" z3="1.499115">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.416064" y3="-0.439106" z3="2.040409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.795857" y3="1.819372" z3="-0.356446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656929" y3="-2.787491" z3="-1.887253">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195178" y3="-2.789361" z3="-0.198819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005803" y3="-1.756942" z3="-1.387021">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510666" y3="-2.869062" z3="0.27213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.9482" y3="-3.216233" z3="0.13836">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596025" y3="1.499177" z3="-0.878186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808394" y3="2.768206" z3="0.164691">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628772" y3="1.154756" z3="-2.437368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006505" y3="1.875437" z3="-2.280265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450944" y3="2.884145" z3="-2.001887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0272,1.8853,-1.8846;1.0528,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043124" y3="1.596904" z3="-0.472349">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617313" z3="0.000215">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742884" y3="-1.40606" z3="-0.994012">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833355" y3="0.800706" z3="-0.534745">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233386" z3="-0.118503">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.77302" y3="-0.463585" z3="-0.003781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262746" y3="1.940087" z3="-0.228471">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.252615" z3="-0.745509">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a9" x3="1.439227" y3="2.605825" z3="0.204649">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a10" x3="2.267477" y3="3.36706" z3="1.209831">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a11" x3="0.871119" y3="2.918057" z3="1.559402">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a12" x3="-5.054144" y3="-1.019896" z3="-0.764864">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a13" x3="-4.583926" y3="0.918349" z3="0.850717">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100341" z3="0.341983">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.56889" z3="-0.369734">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a16" x3="-3.254592" y3="0.245261" z3="1.19391">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a17" x3="0.904729" y3="0.171309" z3="-0.10005">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727125" z3="-0.003362">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.356691" z3="-0.181258">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a20" x3="3.144871" y3="0.956874" z3="-0.291159">
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                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.03893">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="C" id="a22" x3="-6.034502" y3="-2.155013" z3="-1.077681">
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                           <atom elementType="C" id="a23" x3="-0.845513" y3="-2.024223" z3="0.137183">
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                           <atom elementType="C" id="a24" x3="3.721181" y3="-0.28079" z3="-0.362707">
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                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.221399" z3="0.076143">
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                           <atom elementType="C" id="a26" x3="2.877477" y3="-1.445651" z3="-0.128337">
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                           <atom elementType="C" id="a28" x3="-1.027145" y3="1.885256" z3="-1.884626">
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                           <atom elementType="H" id="a31" x3="3.092321" y3="2.853699" z3="1.692447">
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                           <atom elementType="H" id="a50" x3="-1.628761" y3="1.154757" z3="-2.437374">
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                           <atom elementType="H" id="a51" x3="-0.006497" y3="1.875443" z3="-2.280263">
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8334,.8007,-.5347;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1001;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0271,1.8853,-1.8846;1.0528,3.1731,-.6353;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8872;-6.1952,-2.7894,-.1988;-7.0058,-1.757,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472347">
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                           <atom elementType="O" id="a2" x3="3.271929" y3="-2.617312" z3="0.000232">
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                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
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                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727126" z3="-0.00336">
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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="a50" x3="-1.628772" y3="1.154756" z3="-2.437368">
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                           <atom elementType="H" id="a51" x3="-0.006505" y3="1.875437" z3="-2.280265">
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                           <atom elementType="H" id="a52" x3="-1.450944" y3="2.884146" z3="-2.001887">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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">
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                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233385" z3="-0.118501">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005895 0.1051501 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472347">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000232">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a3" x3="5.742895" y3="-1.40607" z3="-0.993963">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O" id="a4" x3="5.833347" y3="0.800713" z3="-0.534781">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a5" x3="1.81509" y3="1.233385" z3="-0.118505">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463586" z3="-0.00378">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N" id="a7" x3="-4.262747" y3="1.940088" z3="-0.228456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a8" x3="-5.08841" y3="2.25262" z3="-0.745492">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a9" x3="1.439228" y3="2.605825" z3="0.204641">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a10" x3="2.26748" y3="3.367064" z3="1.209818">
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                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a11" x3="0.871123" y3="2.918064" z3="1.559394">
                              <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="a13" x3="-4.583927" y3="0.918343" z3="0.850725">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a14" x3="-5.606808" y3="-0.100345" z3="0.341983">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568888" z3="-0.369741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245253" z3="1.193915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
                              <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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                                 <scalar dataType="xsd:integer">0</scalar>
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           <atom elementType="H" id="a47" x3="0.948199" y3="-3.216233" z3="0.138358">
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                                 <scalar dataType="xsd:integer">0</scalar>
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                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
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</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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="O" id="a1" x3="-1.043125" y3="1.596902" z3="-0.472347">
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                           <atom elementType="O" id="a2" x3="3.271928" y3="-2.617313" z3="0.000232">
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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="N" id="a5" x3="1.81509" y3="1.233385" z3="-0.118505">
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                           <atom elementType="N" id="a6" x3="-2.773019" y3="-0.463586" z3="-0.00378">
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                              </property>
                           </atom>
                           <atom elementType="C" id="a15" x3="-3.673064" y3="-1.568888" z3="-0.369741">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a16" x3="-3.254593" y3="0.245253" z3="1.193915">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a17" x3="0.904728" y3="0.171309" z3="-0.100049">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a18" x3="-1.37351" y3="-0.727126" z3="-0.00336">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a19" x3="-0.49866" y3="0.35669" z3="-0.181256">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a20" x3="3.144871" y3="0.956872" z3="-0.291163">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a21" x3="1.417714" y3="-1.148394" z3="-0.038925">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a22" x3="-6.034501" y3="-2.155007" z3="-1.077695">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a23" x3="-0.845512" y3="-2.024224" z3="0.137186">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a24" x3="3.721182" y3="-0.280792" z3="-0.362704">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a25" x3="0.521624" y3="-2.2214" z3="0.076148">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a26" x3="2.877478" y3="-1.445652" z3="-0.128327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a27" x3="5.237981" y3="-0.309534" z3="-0.648288">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C" id="a28" x3="-1.027152" y3="1.885254" z3="-1.884623">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a29" x3="1.052849" y3="3.173134" z3="-0.635356">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a30" x3="2.448597" y3="4.41705" z3="1.004087">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a31" x3="3.092325" y3="2.853705" z3="1.692435">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a32" x3="0.777507" y3="2.094996" z3="2.260572">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a33" x3="0.07074" y3="3.648732" z3="1.606392">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a34" x3="-4.917941" y3="-0.429913" z3="-1.681724">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a35" x3="-4.976101" y3="1.478852" z3="1.700244">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a36" x3="-6.519687" y3="0.405608" z3="0.007978">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a37" x3="-5.889654" y3="-0.707093" z3="1.210755">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a38" x3="-3.788366" y3="-2.28758" z3="0.460269">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a39" x3="-3.237352" y3="-2.10587" z3="-1.215832">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a40" x3="-2.51419" y3="0.986323" z3="1.499113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a41" x3="-3.416062" y3="-0.439105" z3="2.040408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a42" x3="3.795858" y3="1.819372" z3="-0.356442">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a43" x3="-5.656929" y3="-2.787492" z3="-1.887251">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a44" x3="-6.195177" y3="-2.789362" z3="-0.198816">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a45" x3="-7.005804" y3="-1.756944" z3="-1.387018">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a46" x3="-1.510666" y3="-2.869061" z3="0.272128">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a47" x3="0.948199" y3="-3.216233" z3="0.138358">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a48" x3="-3.596027" y3="1.499177" z3="-0.878188">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a49" x3="-3.808395" y3="2.768206" z3="0.164689">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a50" x3="-1.628772" y3="1.154756" z3="-2.437368">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a51" x3="-0.006505" y3="1.875438" z3="-2.280265">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H" id="a52" x3="-1.450946" y3="2.884145" z3="-2.001887">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray/>
                        <formula concise="C20H25N3O4"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">346.23169999999976</scalar>
                        </property>
                     <formula convention="iupac:inchi" inline="InChI=1/20C.3N.4O.25H">
<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;24;25;26;27;28;5;6;7;1;2;3;4;8;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52/rA:52nO0O0O0O0N0N0N0H0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0431,1.5969,-.4723;3.2719,-2.6173,.0002;5.7429,-1.4061,-.994;5.8333,.8007,-.5348;1.8151,1.2334,-.1185;-2.773,-.4636,-.0038;-4.2627,1.9401,-.2285;-5.0884,2.2526,-.7455;1.4392,2.6058,.2046;2.2675,3.3671,1.2098;.8711,2.9181,1.5594;-5.0541,-1.0199,-.7649;-4.5839,.9183,.8507;-5.6068,-.1003,.342;-3.6731,-1.5689,-.3697;-3.2546,.2453,1.1939;.9047,.1713,-.1;-1.3735,-.7271,-.0034;-.4987,.3567,-.1813;3.1449,.9569,-.2912;1.4177,-1.1484,-.0389;-6.0345,-2.155,-1.0777;-.8455,-2.0242,.1372;3.7212,-.2808,-.3627;.5216,-2.2214,.0761;2.8775,-1.4457,-.1283;5.238,-.3095,-.6483;-1.0272,1.8853,-1.8846;1.0528,3.1731,-.6354;2.4486,4.417,1.0041;3.0923,2.8537,1.6924;.7775,2.095,2.2606;.0707,3.6487,1.6064;-4.9179,-.4299,-1.6817;-4.9761,1.4789,1.7002;-6.5197,.4056,.008;-5.8897,-.7071,1.2108;-3.7884,-2.2876,.4603;-3.2374,-2.1059,-1.2158;-2.5142,.9863,1.4991;-3.4161,-.4391,2.0404;3.7959,1.8194,-.3564;-5.6569,-2.7875,-1.8873;-6.1952,-2.7894,-.1988;-7.0058,-1.7569,-1.387;-1.5107,-2.8691,.2721;.9482,-3.2162,.1384;-3.596,1.4992,-.8782;-3.8084,2.7682,.1647;-1.6288,1.1548,-2.4374;-.0065,1.8754,-2.2803;-1.4509,2.8841,-2.0019;</scalar>
</formula>
</molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</array>
                  </module>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="52">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="52">8 8 8 8 7 7 7 1 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.010267348 0.004718169 -0.000338257</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.009349649 -0.022789111 0.009717557</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.002543005 0.065857624 0.015362571</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.020685499 0.043728894 0.011871154</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.007831839 0.000890589 0.005034667</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.016813688 0.031942718 -0.006751362</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.042589902 0.037448267 -0.008761308</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.054197373 -0.024668687 0.008311908</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000951953 -0.018325684 -0.001631374</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010035098 0.009349537 0.008377225</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010589825 0.018338194 0.009914460</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003720135 -0.007074293 0.000079054</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.011716509 -0.033741597 0.015126128</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000196727 0.003342242 -0.003657275</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003485377 0.001686561 0.006590772</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.006549475 -0.005775018 -0.007177111</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.012063594 0.018941189 -0.003381714</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.004433003 -0.010751252 0.002681366</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.014964783 -0.000026569 -0.005662149</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.020239316 0.024104220 -0.004330800</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.016127962 0.000608446 0.000623244</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001859632 -0.000337226 -0.003736696</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.017952282 -0.013984073 0.002704202</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.029432928 -0.009608210 0.009929467</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.013695001 0.001231110 -0.001490260</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.014606004 0.013894222 -0.005865301</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.019774312 -0.124038894 -0.037086734</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004147583 -0.004013929 -0.006548982</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003136202 0.000267635 -0.001027633</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003496606 0.000049932 -0.003062244</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002195999 -0.001761391 0.000224825</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001104088 -0.005689603 -0.004249444</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003158054 -0.004771484 -0.002704448</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002234390 0.000461395 -0.001168160</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.003042045 0.003135663 -0.001740679</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000096803 -0.000509641 0.000707591</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002140198 0.002017699 0.001361074</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.005546364 -0.005407217 -0.001495562</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002144432 0.001184393 0.004531390</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.001779063 -0.002690716 -0.004603201</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.006474736 0.000845797 0.005754799</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000199982 -0.001037814 0.002590415</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000569754 -0.000392211 -0.000016983</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000109468 0.000095586 0.000301179</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000096811 -0.000572744 -0.000093453</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.001843313 0.002725948 -0.000384050</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.005681154 0.004141155 -0.000856804</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000636387 0.001395790 -0.007543094</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.003242408 0.008780944 0.002138117</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000903017 -0.002682077 -0.002729903</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000207050 -0.000076331 0.000377438</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002345445 -0.000458147 0.003784378</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.124038894</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.016296051</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">4</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-1242.33223378</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT142789.800S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2025-11-28T11:27:31.000</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="52">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="52">O O O O N N N H C C C C C 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 H H H H H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="52">-0.549865 -0.548486 -0.718400 -0.616395 -0.599539 -0.543446 -0.511682 0.394180 0.049194 -0.255974 -0.183449 -0.096143 -0.034446 -0.192462 -0.006902 -0.035410 0.318344 0.220640 0.287131 0.088398 0.012813 -0.323171 -0.125764 -0.023632 -0.145902 0.330309 0.407696 -0.097543 0.137446 0.125513 0.128893 0.131898 0.123819 0.104536 0.177140 0.130013 0.140805 0.099441 0.126441 0.142995 0.131980 0.126262 0.113964 0.116461 0.114678 0.107206 0.104050 0.365999 0.378553 0.113797 0.122896 0.135122</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
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                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C20H25N3O4)]</scalar>
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</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">NEW-compound opt 6-31G**</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="55">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 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="55">1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 9 9 9 10 10 10 11 11 12 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 20 20 21 21 22 22 22 23 23 24 24 25 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="55">19 28 26 27 27 9 17 20 15 16 18 8 13 48 49 10 11 29 11 30 31 32 33 14 15 22 34 14 16 35 36 37 38 39 40 41 19 21 19 23 24 42 25 26 43 44 45 25 46 26 27 47 50 51 52</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="55">1.3854 1.4415 1.2429 1.2557 1.2649 1.4592 1.399 1.3692 1.4716 1.4727 1.4241 1.0231 1.5204 1.0301 1.0231 1.5086 1.5019 1.0848 1.5079 1.0852 1.0848 1.0853 1.0848 1.5415 1.5378 1.5321 1.0987 1.5306 1.529 1.0907 1.0959 1.0968 1.104 1.0927 1.0911 1.1004 1.4179 1.4172 1.4042 1.4075 1.3671 1.0826 1.4027 1.4924 1.0945 1.0957 1.0943 1.3826 1.0837 1.4573 1.5437 1.0842 1.0959 1.0947 1.0914</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="55">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="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="100">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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="100">19 9 9 17 15 15 16 8 8 8 13 13 48 5 5 5 10 11 9 9 11 11 30 9 9 10 10 32 14 14 14 15 15 22 7 7 7 14 14 16 12 12 12 13 13 36 6 6 6 12 12 38 6 6 6 13 13 40 5 5 19 6 6 19 1 1 17 5 5 24 17 17 25 12 12 12 43 43 44 18 18 25 20 20 26 21 21 23 2 2 21 3 3 4 1 1 1 50 50 51</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="100">1 5 5 5 6 6 6 7 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="100">28 17 20 20 16 18 18 13 48 49 48 49 49 10 11 29 29 29 30 31 30 31 31 32 33 32 33 33 15 22 34 22 34 34 14 16 35 16 35 35 13 36 37 36 37 37 12 38 39 38 39 39 13 40 41 40 41 41 19 21 21 19 23 23 17 18 18 24 42 42 25 26 26 43 44 45 44 45 45 25 46 46 26 27 27 23 47 47 21 24 24 4 24 24 50 51 52 51 52 52</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="100">112.3692 122.9226 117.9077 118.7092 111.3309 117.5236 114.2165 113.1727 109.5323 107.7777 107.2645 111.4071 107.5414 118.7333 119.5204 114.3395 116.5906 117.0679 116.9718 118.3651 119.1195 117.3921 114.5392 117.242 117.2724 117.0966 119.5219 114.7837 110.515 111.0484 108.8631 111.261 107.1437 107.8639 110.6401 105.7522 106.4655 111.2613 111.1374 111.346 113.3334 110.8077 109.3433 110.5315 106.0958 106.3806 110.1832 111.461 108.528 109.3774 109.547 107.6906 108.2784 109.4201 111.9774 110.7167 108.5932 107.8658 122.9606 118.1624 118.8473 117.9957 122.6313 119.3572 121.202 118.2122 120.5634 126.7879 115.5147 117.6855 118.988 122.4757 118.5165 111.0025 111.037 110.8638 108.0171 107.8974 107.8875 119.8645 120.0419 120.0812 118.1099 116.1505 125.7136 121.7495 117.0816 121.1547 119.4704 125.9018 114.6276 127.0069 117.5334 115.4377 110.7758 111.2618 106.5018 108.8783 110.0415 109.3547</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="100">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>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="141">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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="141">28 28 19 19 19 17 17 17 20 20 20 9 9 20 20 9 9 17 17 16 16 16 18 18 18 15 15 15 18 18 18 15 15 16 16 8 8 8 48 48 48 49 49 49 5 5 29 29 5 5 29 29 30 30 31 31 15 15 15 22 22 22 34 34 34 14 14 14 22 22 22 34 34 34 14 14 14 15 15 15 34 34 34 7 7 7 16 16 16 35 35 35 7 7 7 14 14 14 35 35 35 5 5 21 21 5 5 19 19 6 6 23 23 6 6 19 19 5 5 42 42 17 17 26 26 17 17 25 25 18 18 46 46 20 20 27 27 20 20 26 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="141">1 1 1 1 1 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 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 23 23 23 23 24 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="141">19 19 28 28 28 9 9 9 9 9 9 17 17 17 17 20 20 20 20 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 13 13 13 13 13 13 13 13 13 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 22 22 22 22 22 22 22 22 22 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 21 21 21 21 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 25 25 25 25 26 26 26 26 27 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="141">17 18 50 51 52 10 11 29 10 11 29 19 21 19 21 24 42 24 42 12 38 39 12 38 39 13 40 41 13 40 41 19 23 19 23 14 16 35 14 16 35 14 16 35 30 31 30 31 32 33 32 33 32 33 32 33 13 36 37 13 36 37 13 36 37 6 38 39 6 38 39 6 38 39 43 44 45 43 44 45 43 44 45 12 36 37 12 36 37 12 36 37 6 40 41 6 40 41 6 40 41 1 18 1 18 25 26 25 26 1 17 1 17 25 46 25 46 26 27 26 27 23 47 23 47 2 24 2 24 21 47 21 47 2 21 2 21 3 4 3 4</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="141">80.8441 -97.4397 61.6945 -59.5681 -178.6574 129.7122 59.7456 -86.3617 -42.3907 -112.3573 101.5354 20.2122 -161.7944 -167.745 10.2484 167.6496 -11.0606 -4.7945 176.4954 64.0891 -57.5349 -175.967 -161.4806 76.8954 -41.5367 -65.2008 174.0376 54.4954 158.7775 38.0159 -81.5263 155.4658 -23.0746 -71.3675 110.0921 41.6655 162.2537 -79.2081 -79.2561 41.3321 159.8703 163.3025 -76.1093 42.4289 140.9647 -2.5828 -2.1688 -145.7164 0.9899 -141.7488 146.1998 3.4611 -146.5655 -0.3771 -1.0699 145.1185 46.9755 171.9028 -71.1515 170.9518 -64.1209 52.8248 -70.4396 54.4876 171.4333 -53.0646 69.7894 -172.3904 -176.9184 -54.0645 63.7557 65.4041 -171.7419 -53.9217 178.0603 -61.7658 58.1525 -58.3892 61.7847 -178.2971 58.8511 179.025 -61.0567 67.8386 -57.2375 -172.1667 -49.41 -174.4861 70.5847 -174.104 60.8199 -54.1094 -63.4833 56.4695 174.7174 56.6992 176.652 -65.1001 -178.7241 -58.7713 59.4765 9.1639 -172.5924 -168.8164 9.4273 175.5226 -6.1218 -6.3996 171.9561 -5.9834 175.7213 172.6063 -5.6889 177.4187 -1.2997 -1.1027 -179.821 -5.3511 176.3977 173.3343 -4.9168 -0.2878 -178.9283 -178.7091 2.6505 176.3331 -3.4816 -5.3038 174.8815 4.1152 -177.2993 -177.167 1.4186 -170.8843 8.9165 7.1822 -173.017 -165.5253 12.8881 16.3746 -165.212</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="141">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|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="150">0.00183 0.00239 0.00244 0.00442 0.00502 0.00554 0.00630 0.00662 0.00771 0.00890 0.00943 0.01129 0.01367 0.01600 0.01605 0.01625 0.01756 0.01869 0.01936 0.02024 0.02079 0.02160 0.02387 0.02481 0.02629 0.02707 0.02735 0.03055 0.03203 0.03270 0.03463 0.03625 0.03875 0.03999 0.04053 0.04056 0.04233 0.04426 0.04460 0.04577 0.04605 0.04607 0.04658 0.04791 0.05341 0.05646 0.05776 0.05920 0.06116 0.06815 0.07113 0.07627 0.07636 0.07894 0.08276 0.08491 0.08795 0.08928 0.09027 0.09068 0.10871 0.11638 0.11691 0.11962 0.12098 0.12175 0.12382 0.12625 0.13368 0.14106 0.14651 0.15041 0.15543 0.16021 0.16109 0.17200 0.17758 0.18061 0.18140 0.18282 0.18729 0.18771 0.19306 0.19394 0.19890 0.19977 0.20389 0.20956 0.21100 0.21561 0.22484 0.22890 0.23705 0.23776 0.24876 0.25666 0.25955 0.26214 0.26630 0.26988 0.27381 0.28583 0.29441 0.29514 0.30059 0.30611 0.31584 0.32474 0.32702 0.32837 0.33238 0.33303 0.33446 0.33602 0.33799 0.33891 0.33972 0.34384 0.34414 0.34565 0.34752 0.34795 0.34977 0.35376 0.35859 0.35963 0.36139 0.36256 0.36299 0.36381 0.36951 0.37107 0.37305 0.38800 0.39555 0.41131 0.41566 0.42959 0.43633 0.43676 0.43946 0.44410 0.45383 0.49925 0.52269 0.55132 0.57193 0.61921 0.73814 0.75340</array>
                     <array cmlx:templateRef="junk" dataType="xsd:string" dictRef="x:junk1" size="8">Angle between quadratic step and forces= 79.55 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">0.00000483 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">
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                        <array dataType="xsd:integer" dictRef="g:atom1" size="55">1 1 2 3 4 5 5 5 6 6 6 7 7 7 7 9 9 9 10 10 10 11 11 12 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 20 20 21 21 22 22 22 23 23 24 24 25 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="55">19 28 26 27 27 9 17 20 15 16 18 8 13 48 49 10 11 29 11 30 31 32 33 14 15 22 34 14 16 35 36 37 38 39 40 41 19 21 19 23 24 42 25 26 43 44 45 25 46 26 27 47 50 51 52</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="55">1.3854 1.4415 1.2429 1.2557 1.2649 1.4592 1.399 1.3692 1.4716 1.4727 1.4241 1.0231 1.5204 1.0301 1.0231 1.5086 1.5019 1.0848 1.5079 1.0852 1.0848 1.0853 1.0848 1.5415 1.5378 1.5321 1.0987 1.5306 1.529 1.0907 1.0959 1.0968 1.104 1.0927 1.0911 1.1004 1.4179 1.4172 1.4042 1.4075 1.3671 1.0826 1.4027 1.4924 1.0945 1.0957 1.0943 1.3826 1.0837 1.4573 1.5437 1.0842 1.0959 1.0947 1.0914</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="55">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="100">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 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="100">19 9 9 17 15 15 16 8 8 8 13 13 48 5 5 5 10 11 9 9 11 11 30 9 9 10 10 32 14 14 14 15 15 22 7 7 7 14 14 16 12 12 12 13 13 36 6 6 6 12 12 38 6 6 6 13 13 40 5 5 19 6 6 19 1 1 17 5 5 24 17 17 25 12 12 12 43 43 44 18 18 25 20 20 26 21 21 23 2 2 21 3 3 4 1 1 1 50 50 51</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="100">1 5 5 5 6 6 6 7 7 7 7 7 7 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 28 28 28</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="100">28 17 20 20 16 18 18 13 48 49 48 49 49 10 11 29 29 29 30 31 30 31 31 32 33 32 33 33 15 22 34 22 34 34 14 16 35 16 35 35 13 36 37 36 37 37 12 38 39 38 39 39 13 40 41 40 41 41 19 21 21 19 23 23 17 18 18 24 42 42 25 26 26 43 44 45 44 45 45 25 46 46 26 27 27 23 47 47 21 24 24 4 24 24 50 51 52 51 52 52</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="100">112.3692 122.9226 117.9077 118.7092 111.3309 117.5236 114.2165 113.1727 109.5323 107.7777 107.2645 111.4071 107.5414 118.7333 119.5204 114.3395 116.5906 117.0679 116.9718 118.3651 119.1195 117.3921 114.5392 117.242 117.2724 117.0966 119.5219 114.7837 110.515 111.0484 108.8631 111.261 107.1437 107.8639 110.6401 105.7522 106.4655 111.2613 111.1374 111.346 113.3334 110.8077 109.3433 110.5315 106.0958 106.3806 110.1832 111.461 108.528 109.3774 109.547 107.6906 108.2784 109.4201 111.9774 110.7167 108.5932 107.8658 122.9606 118.1624 118.8473 117.9957 122.6313 119.3572 121.202 118.2122 120.5634 126.7879 115.5147 117.6855 118.988 122.4757 118.5165 111.0025 111.037 110.8638 108.0171 107.8974 107.8875 119.8645 120.0419 120.0812 118.1099 116.1505 125.7136 121.7495 117.0816 121.1547 119.4704 125.9018 114.6276 127.0069 117.5334 115.4377 110.7758 111.2618 106.5018 108.8783 110.0415 109.3547</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="100">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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="140">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 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="140">28 28 19 19 19 17 17 17 20 20 20 9 9 20 20 9 9 17 17 16 16 16 18 18 18 15 15 15 18 18 18 15 15 16 16 8 8 8 48 48 48 49 49 49 5 5 29 29 5 5 29 29 30 30 31 31 15 15 15 22 22 22 34 34 34 14 14 14 22 22 22 34 34 34 14 14 14 15 15 15 34 34 34 7 7 7 16 16 16 35 35 35 7 7 7 14 14 14 35 35 35 5 5 21 21 5 5 19 19 6 6 23 23 6 6 19 19 5 5 42 42 17 17 26 26 17 17 25 25 18 18 46 46 20 20 27 27 20 20 26</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="140">1 1 1 1 1 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 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 21 21 21 21 23 23 23 23 24 24 24 24 24 24 24</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="140">19 19 28 28 28 9 9 9 9 9 9 17 17 17 17 20 20 20 20 15 15 15 15 15 15 16 16 16 16 16 16 18 18 18 18 13 13 13 13 13 13 13 13 13 10 10 10 10 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 22 22 22 22 22 22 22 22 22 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 19 19 19 19 21 21 21 21 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 25 25 25 25 26 26 26 26 27 27 27</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="140">17 18 50 51 52 10 11 29 10 11 29 19 21 19 21 24 42 24 42 12 38 39 12 38 39 13 40 41 13 40 41 19 23 19 23 14 16 35 14 16 35 14 16 35 30 31 30 31 32 33 32 33 32 33 32 33 13 36 37 13 36 37 13 36 37 6 38 39 6 38 39 6 38 39 43 44 45 43 44 45 43 44 45 12 36 37 12 36 37 12 36 37 6 40 41 6 40 41 6 40 41 1 18 1 18 25 26 25 26 1 17 1 17 25 46 25 46 26 27 26 27 23 47 23 47 2 24 2 24 21 47 21 47 2 21 2 21 3 4 3</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="140">80.8441 -97.4397 61.6945 -59.5681 -178.6574 129.7122 59.7456 -86.3617 -42.3907 -112.3573 101.5354 20.2122 -161.7944 -167.745 10.2484 167.6496 -11.0606 -4.7945 176.4954 64.0891 -57.5349 -175.967 -161.4806 76.8954 -41.5367 -65.2008 174.0376 54.4954 158.7775 38.0159 -81.5263 155.4658 -23.0746 -71.3675 110.0921 41.6655 162.2537 -79.2081 -79.2561 41.3321 159.8703 163.3025 -76.1093 42.4289 140.9647 -2.5828 -2.1688 -145.7164 0.9899 -141.7488 146.1998 3.4611 -146.5655 -0.3771 -1.0699 145.1185 46.9755 171.9028 -71.1515 170.9518 -64.1209 52.8248 -70.4396 54.4876 171.4333 -53.0646 69.7894 -172.3904 -176.9184 -54.0645 63.7557 65.4041 -171.7419 -53.9217 178.0603 -61.7658 58.1525 -58.3892 61.7847 -178.2971 58.8511 179.025 -61.0567 67.8386 -57.2375 -172.1667 -49.41 -174.4861 70.5847 -174.104 60.8199 -54.1094 -63.4833 56.4695 174.7174 56.6992 176.652 -65.1001 -178.7241 -58.7713 59.4765 9.1639 -172.5924 -168.8164 9.4273 175.5226 -6.1218 -6.3996 171.9561 -5.9834 175.7213 172.6063 -5.6889 177.4187 -1.2997 -1.1027 -179.821 -5.3511 176.3977 173.3343 -4.9168 -0.2878 -178.9283 -178.7091 2.6505 176.3331 -3.4816 -5.3038 174.8815 4.1152 -177.2993 -177.167 1.4186 -170.8843 8.9165 7.1822 -173.017 -165.5253 12.8881 16.3746</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="140">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-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">52</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">52</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">52</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.rotconst">
                     <array cmlx:templateRef="rotconst" dataType="xsd:double" dictRef="cc:rotconst" size="3">0.4005896 0.1051500 0.0890356</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">-1242.33223378</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=11111111111111111111111111111111111111111111111111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11</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   159 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">156 vectors produced by pass  0 Test12= 4.27D-14 1.00D-09 XBig12= 3.37D+02 7.89D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form   156 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">156 vectors produced by pass  1 Test12= 4.27D-14 1.00D-09 XBig12= 8.54D+01 1.14D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">156 vectors produced by pass  2 Test12= 4.27D-14 1.00D-09 XBig12= 5.66D-01 5.29D-02.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">156 vectors produced by pass  3 Test12= 4.27D-14 1.00D-09 XBig12= 2.24D-03 3.63D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">156 vectors produced by pass  4 Test12= 4.27D-14 1.00D-09 XBig12= 4.73D-06 2.10D-04.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">103 vectors produced by pass  5 Test12= 4.27D-14 1.00D-09 XBig12= 6.19D-09 6.57D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">25 vectors produced by pass  6 Test12= 4.27D-14 1.00D-09 XBig12= 6.42D-12 2.20D-07.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  7 Test12= 4.27D-14 1.00D-09 XBig12= 6.38D-15 5.70D-09.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">1 vectors produced by pass  8 Test12= 4.27D-14 1.00D-09 XBig12= 2.33D-16 1.18D-09.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 3.55D-15</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension   912 with   159 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      327.78 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">PT24778.800S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:date">2025-11-28T11:40:52.000</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
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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="52">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="52">O O O O N N N H C C C C C 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 H H H H H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="52">-0.570405 -0.591213 -0.650452 -0.668605 -0.568793 -0.557714 -0.524005 0.373257 0.052156 -0.247890 -0.216329 -0.091580 -0.019869 -0.198496 -0.022987 -0.047398 0.297225 0.250837 0.280491 0.098432 0.005103 -0.323087 -0.132173 -0.089287 -0.152316 0.344998 0.472288 -0.106551 0.136532 0.133559 0.137014 0.133282 0.128115 0.111158 0.177649 0.136555 0.142152 0.107737 0.130530 0.152564 0.140256 0.134786 0.115876 0.116429 0.116667 0.111544 0.103519 0.366803 0.377140 0.125627 0.128353 0.140514</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="27">1 2 3 4 5 6 7 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="27">O O O O N N N C C C C C C C C C C C C C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="27">-0.570405 -0.591213 -0.650452 -0.668605 -0.568793 -0.557714 0.593194 0.188688 0.022683 0.045068 0.019578 0.157780 0.080212 0.215279 0.245422 0.297225 0.250837 0.280491 0.233218 0.005103 0.025885 -0.020629 -0.089287 -0.048797 0.344998 0.472288 0.287944</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">422.206 -5.143 361.102 -12.507 -0.509 200.018</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">440.955 -19.729 447.406 -14.062 -5.773 233.775</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">-10.3502 -0.0006 0.0002 0.0006 6.7226 7.3085 25.0354 34.5680 39.9879</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx" dictRef="cc:vibrations" id="default">
                        <array dataType="xsd:integer" dictRef="x:serial" size="150">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="cc:irrep" size="150">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|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="150">24.2948 34.5407 39.5127 41.7358 69.9401 80.3613 87.0677 103.5188 113.8815 136.6680 143.6267 152.9454 155.8636 182.4177 189.4070 200.8305 225.6217 230.6121 250.2973 259.8844 279.2445 284.9206 294.1903 324.2638 337.3823 360.1010 372.3998 389.6143 402.3955 419.7453 424.7837 435.5062 450.7067 456.1200 485.3785 502.9026 522.3805 552.8498 566.7082 589.8514 637.7641 651.6657 675.4449 707.0451 723.6898 752.7668 763.5760 780.3159 788.8113 793.7390 809.7552 842.1452 845.4294 850.2863 875.3008 883.4154 888.5628 906.5688 932.2705 940.3111 945.9292 965.4775 979.7514 981.4748 984.3743 992.7620 1012.5225 1023.1848 1032.1659 1053.5280 1064.5912 1070.5031 1087.8959 1113.9227 1133.8118 1134.5675 1144.2955 1154.4442 1168.1729 1172.9614 1174.6260 1195.4789 1197.4336 1202.3975 1223.8168 1225.6451 1232.2417 1253.9498 1269.9123 1300.2282 1301.0249 1332.6050 1335.1944 1339.5183 1349.3246 1366.4425 1375.0048 1381.1424 1385.7620 1394.5399 1405.2972 1408.4728 1413.3867 1418.9822 1429.5733 1466.4983 1472.7321 1478.0222 1483.6935 1493.1407 1500.4999 1503.5409 1504.7045 1506.8958 1508.9882 1514.3342 1516.3273 1521.4749 1580.8024 1633.1483 1634.9193 1656.1173 1669.9019 1671.2779 1710.3471 2965.0082 3013.4204 3023.7619 3033.3243 3042.1006 3053.1930 3095.8048 3104.7684 3110.1516 3113.4735 3120.0169 3134.4365 3138.5341 3150.8361 3154.1447 3154.2449 3181.6056 3212.5255 3225.0458 3233.5950 3240.1419 3245.4779 3365.9995 3485.6624 3531.3127</array>
                        <array dataType="xsd:double" dictRef="cc:redmass" size="150">3.7942 8.3150 6.7674 4.4582 7.8830 2.8981 4.5196 3.9439 3.3926 2.7490 4.2903 3.1200 3.0497 3.2897 4.3126 4.5265 1.1124 1.0993 5.9671 3.5325 1.1879 3.6849 4.4173 3.8907 4.3411 2.8270 5.8600 3.3501 3.9409 4.4467 4.1003 4.1457 6.7070 1.7420 4.3849 2.6733 3.9134 4.9085 4.7266 5.1361 4.4240 6.0889 5.3234 6.2243 4.2054 2.8611 4.8376 3.3777 1.9967 3.2613 4.8988 1.4872 2.2267 2.0724 3.0949 1.6090 2.1192 4.2057 2.5465 3.5858 1.6035 2.8022 1.3098 2.0598 1.9331 1.8308 1.6783 2.2817 4.9101 1.5574 1.4546 1.8694 1.3455 1.9004 1.2480 1.9556 1.7892 1.9309 1.6765 1.6344 1.4116 1.9174 1.3600 1.6621 1.6041 2.3315 1.9999 2.8931 1.8988 1.2242 3.4897 1.3627 1.8463 2.3528 2.8132 8.1891 2.2960 1.5925 1.3424 1.8782 2.5048 1.3660 1.6010 1.3672 1.3320 4.2715 1.1002 1.2661 1.1460 1.1103 1.0881 1.0445 1.0637 1.1892 1.3683 1.1061 1.0598 2.7431 6.3784 7.1048 7.4081 1.0502 1.4916 2.6758 11.9820 1.0710 1.0718 1.0840 1.0322 1.0362 1.0609 1.1043 1.1059 1.0950 1.0991 1.1029 1.0925 1.0901 1.0512 1.0698 1.0927 1.0896 1.0869 1.0946 1.1191 1.0930 1.1144 1.0460 1.0760 1.0942</array>
                        <array dataType="xsd:double" dictRef="cc:forceconst" size="150">0.0013 0.0058 0.0062 0.0046 0.0227 0.0110 0.0202 0.0249 0.0259 0.0303 0.0521 0.0430 0.0437 0.0645 0.0912 0.1076 0.0334 0.0344 0.2203 0.1406 0.0546 0.1762 0.2253 0.2410 0.2911 0.2160 0.4788 0.2996 0.3760 0.4616 0.4359 0.4633 0.8027 0.2135 0.6087 0.3983 0.6292 0.8839 0.8944 1.0529 1.0602 1.5235 1.4309 1.8333 1.2977 0.9552 1.6618 1.2117 0.7320 1.2106 1.8925 0.6214 0.9377 0.8828 1.3971 0.7398 0.9858 2.0365 1.3040 1.8680 0.8453 1.5390 0.7408 1.1691 1.1036 1.0631 1.0137 1.4074 3.0821 1.0185 0.9713 1.2622 0.9382 1.3894 0.9453 1.4832 1.3803 1.5162 1.3480 1.3249 1.1475 1.6145 1.1489 1.4158 1.4155 2.0636 1.7891 2.6802 1.8041 1.2194 3.4802 1.4258 1.9393 2.4874 3.0178 9.0088 2.5576 1.7898 1.5188 2.1521 2.9145 1.5966 1.8844 1.6219 1.6039 5.4124 1.4060 1.6296 1.4864 1.4584 1.4434 1.3912 1.4189 1.5911 1.8357 1.4944 1.4357 3.7413 9.3912 11.1649 11.6668 1.6972 2.4507 4.4036 20.6513 5.5472 5.7345 5.8394 5.5958 5.6501 5.8271 6.2357 6.2809 6.2408 6.2775 6.3258 6.3238 6.3269 6.1488 6.2705 6.4051 6.4987 6.6093 6.7076 6.8944 6.7607 6.9160 6.9824 7.7023 8.0396</array>
                        <array dataType="xsd:double" dictRef="cc:irintensity" size="150">1.9355 1.2637 5.3077 10.6381 0.3110 4.1637 1.2740 9.3730 28.7798 9.9996 1.5702 25.0113 8.4494 9.4198 11.4144 5.2087 0.5555 1.5198 7.5520 1.8742 3.3293 3.6377 6.5933 17.0614 5.4527 13.9379 7.7761 8.9844 4.7691 7.5484 16.5003 17.4052 3.0328 4.4233 10.2218 0.5520 6.5265 2.2021 7.6906 1.4912 20.5916 14.4939 31.5474 24.2277 22.3771 26.5736 55.3821 17.5560 5.9573 7.4995 50.3918 42.9053 9.5302 10.6176 2.0868 15.8193 22.7436 10.9797 10.9680 23.4270 24.0215 23.5507 7.0125 15.6935 12.6526 25.4496 24.3716 91.6747 70.9201 50.0043 53.9764 71.8278 3.2140 21.8800 8.4461 14.3960 45.6826 0.5991 12.7754 11.4745 19.3450 8.0730 2.0688 29.8536 37.3474 72.0588 52.1084 28.9199 376.8855 21.4701 259.5818 0.9716 7.7800 142.2704 23.4384 692.6147 0.5198 5.7063 31.4262 97.6823 83.9540 4.8013 34.3639 19.0523 22.6038 354.2978 1.0539 6.9777 216.0405 52.8710 6.0772 5.8495 2.6498 53.6075 10.0964 22.6198 18.2538 4.8558 106.6395 299.0298 101.3452 58.4413 111.6101 41.3145 1264.0019 84.8738 65.3708 37.2187 56.0695 35.1924 43.0466 27.5043 47.8389 8.8929 71.7868 40.0483 9.6589 15.2522 18.5217 6.4626 31.9102 34.4011 0.7947 16.3265 0.4420 8.0893 21.6112 149.7861 218.2010 123.0672</array>
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