<?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 09</scalar>
</parameter>
<parameter dictRef="cc:hostname">
<scalar dataType="xsd:string">GINC-NODE17</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">GROTJAHN</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">juf51a</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G09RevD.01</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RB3LYP</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">GenECP</scalar>
</parameter>
<parameter dictRef="g:operation">
<scalar dataType="xsd:string">FOpt</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">#t</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">opt=tight</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">int=(grid=ultrafine)</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">freq</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">b3lyp/genecp</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">empiricaldispersion=gd2</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">nosymm</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">gfinput</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">gfprint</scalar>
</parameter>
</parameterList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:link0">/opt/acooksy/g09D01/g09/g09</scalar>
<array dataType="xsd:string" dictRef="g:command" size="1">Output=/home/grotjahn/456/32/180710/181215/juf51a.log</array>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT522687.700S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:date">2019-02-14T02:53:17.000+01:00</scalar>
</property>
</propertyList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
<scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-1446.0729146</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">3.312E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">6.026E-7</scalar>
<scalar dataType="xsd:string" dictRef="x:Quadrupole">2.4475977,-8.1022562,5.6546585,-4.8319981,1.680614,-7.4880987</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C23H40N2P1Ru1)]</scalar>
<array dataType="xsd:double" dictRef="cc:dipole" size="3" units="nonsi:debye">-1.0947712 0.6111603 -1.3432399</array>
</module>
</module>
<molecule formalCharge="1" id="mol9999" spinMultiplicity="1">
<atomArray>
<atom elementType="Ru" id="a1" x3="-0.19452756" y3="-0.4417433" z3="0.93435373"/>
<atom elementType="P" id="a2" x3="-1.55367044" y3="0.8056781" z3="-0.59576828"/>
<atom elementType="C" id="a3" x3="-0.04797412" y3="0.7886423" z3="-1.6114449"/>
<atom elementType="N" id="a4" x3="0.42046868" y3="1.14852386" z3="-2.82834047"/>
<atom elementType="C" id="a5" x3="1.71869371" y3="0.68994271" z3="-2.9030551"/>
<atom elementType="C" id="a6" x3="2.00652858" y3="0.03820983" z3="-1.71650079"/>
<atom elementType="N" id="a7" x3="0.88281376" y3="0.12103661" z3="-0.92000791"/>
<atom elementType="C" id="a8" x3="-0.28886701" y3="1.92220754" z3="-3.83781044"/>
<atom elementType="H" id="a9" x3="-1.36918623" y3="1.77032713" z3="-3.70773016"/>
<atom elementType="H" id="a10" x3="0.00711353" y3="1.57326418" z3="-4.83699419"/>
<atom elementType="H" id="a11" x3="-0.05755392" y3="2.9950676" z3="-3.74045817"/>
<atom elementType="H" id="a12" x3="2.33016517" y3="0.85785244" z3="-3.7832259"/>
<atom elementType="C" id="a13" x3="-2.06343311" y3="2.60418724" z3="-0.38872583"/>
<atom elementType="C" id="a14" x3="-3.07642898" y3="3.10614619" z3="-1.42521071"/>
<atom elementType="C" id="a15" x3="-0.81195728" y3="3.49786827" z3="-0.37830886"/>
<atom elementType="C" id="a16" x3="-2.88521558" y3="-0.00738442" z3="-1.62299758"/>
<atom elementType="C" id="a17" x3="-2.36422315" y3="-1.28028281" z3="-2.29988187"/>
<atom elementType="C" id="a18" x3="-4.12497474" y3="-0.25935674" z3="-0.75335858"/>
<atom elementType="H" id="a19" x3="-2.53689467" y3="2.63625171" z3="0.60815284"/>
<atom elementType="H" id="a20" x3="-3.1491413" y3="0.72235969" z3="-2.40573554"/>
<atom elementType="H" id="a21" x3="-4.01765376" y3="2.5373996" z3="-1.40671139"/>
<atom elementType="H" id="a22" x3="-2.66051575" y3="3.06048958" z3="-2.44554417"/>
<atom elementType="H" id="a23" x3="-3.31385562" y3="4.16153921" z3="-1.21199787"/>
<atom elementType="H" id="a24" x3="-0.36804755" y3="3.54465855" z3="-1.38653917"/>
<atom elementType="H" id="a25" x3="-1.0944687" y3="4.52144308" z3="-0.08291167"/>
<atom elementType="H" id="a26" x3="-0.03603848" y3="3.14023115" z3="0.31407441"/>
<atom elementType="H" id="a27" x3="-2.01364163" y3="-2.0167829" z3="-1.56246055"/>
<atom elementType="H" id="a28" x3="-3.17623626" y3="-1.74083986" z3="-2.88637244"/>
<atom elementType="H" id="a29" x3="-1.52610348" y3="-1.06206576" z3="-2.98118748"/>
<atom elementType="H" id="a30" x3="-4.50904622" y3="0.67172586" z3="-0.30502332"/>
<atom elementType="H" id="a31" x3="-4.92864674" y3="-0.696586" z3="-1.36839469"/>
<atom elementType="H" id="a32" x3="-3.9010142" y3="-0.96052475" z3="0.06647192"/>
<atom elementType="C" id="a33" x3="3.26612082" y3="-0.70807746" z3="-1.35154998"/>
<atom elementType="C" id="a34" x3="4.40013815" y3="-0.3284765" z3="-2.31518312"/>
<atom elementType="C" id="a35" x3="3.66387531" y3="-0.36829116" z3="0.09084933"/>
<atom elementType="C" id="a36" x3="2.99146082" y3="-2.22275731" z3="-1.46182331"/>
<atom elementType="H" id="a37" x3="5.31654121" y3="-0.87165578" z3="-2.03626868"/>
<atom elementType="H" id="a38" x3="4.15160459" y3="-0.60060396" z3="-3.35459849"/>
<atom elementType="H" id="a39" x3="4.61127701" y3="0.75266563" z3="-2.27302332"/>
<atom elementType="H" id="a40" x3="3.8641554" y3="0.70934393" z3="0.20821783"/>
<atom elementType="H" id="a41" x3="4.57044745" y3="-0.9273839" z3="0.37306739"/>
<atom elementType="H" id="a42" x3="2.8473165" y3="-0.64208981" z3="0.7688473"/>
<atom elementType="H" id="a43" x3="2.17188574" y3="-2.52021729" z3="-0.79119005"/>
<atom elementType="H" id="a44" x3="3.89524577" y3="-2.78807081" z3="-1.1800708"/>
<atom elementType="H" id="a45" x3="2.71637211" y3="-2.49691961" z3="-2.49363928"/>
<atom elementType="C" id="a46" x3="-1.48685785" y3="-2.30855074" z3="1.03041893"/>
<atom elementType="C" id="a47" x3="-0.20540785" y3="-2.64916062" z3="0.52628426"/>
<atom elementType="C" id="a48" x3="-1.33109383" y3="-1.73961485" z3="2.33526826"/>
<atom elementType="H" id="a49" x3="-2.42774442" y3="-2.42304488" z3="0.50050006"/>
<atom elementType="C" id="a50" x3="0.77299245" y3="-2.3287284" z3="1.54133028"/>
<atom elementType="H" id="a51" x3="0.00315645" y3="-3.07394196" z3="-0.45278098"/>
<atom elementType="C" id="a52" x3="0.06770227" y3="-1.78944496" z3="2.65691936"/>
<atom elementType="H" id="a53" x3="-2.12917171" y3="-1.39139115" z3="2.9853454"/>
<atom elementType="H" id="a54" x3="1.84299591" y3="-2.50549651" z3="1.48300019"/>
<atom elementType="H" id="a55" x3="0.51680795" y3="-1.4459468" z3="3.58346637"/>
<atom elementType="C" id="a56" x3="-0.32642318" y3="1.29589871" z3="2.29969608"/>
<atom elementType="C" id="a57" x3="1.02190103" y3="1.12773293" z3="1.94320643"/>
<atom elementType="C" id="a58" x3="2.05656147" y3="0.71106983" z3="2.97443444"/>
<atom elementType="C" id="a59" x3="2.98904437" y3="1.88838324" z3="3.29417647"/>
<atom elementType="H" id="a60" x3="2.6634873" y3="-0.14249769" z3="2.63808565"/>
<atom elementType="H" id="a61" x3="-0.93547231" y3="2.09401694" z3="1.88244706"/>
<atom elementType="H" id="a62" x3="-0.64586782" y3="0.95640926" z3="3.28953649"/>
<atom elementType="H" id="a63" x3="1.42190272" y3="1.74464208" z3="1.13037785"/>
<atom elementType="H" id="a64" x3="1.53871913" y3="0.39342101" z3="3.89473659"/>
<atom elementType="H" id="a65" x3="2.41554763" y3="2.75738986" z3="3.65859981"/>
<atom elementType="H" id="a66" x3="3.72460109" y3="1.60986358" z3="4.06625537"/>
<atom elementType="H" id="a67" x3="3.54268404" y3="2.20082222" z3="2.39164289"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a2" order="S"/>
<bond atomRefs2="a1 a46" order="S"/>
<bond atomRefs2="a1 a47" order="S"/>
<bond atomRefs2="a1 a57" order="S"/>
<bond atomRefs2="a1 a48" order="S"/>
<bond atomRefs2="a1 a7" order="S"/>
<bond atomRefs2="a1 a56" order="S"/>
<bond atomRefs2="a1 a50" order="S"/>
<bond atomRefs2="a1 a52" order="S"/>
<bond atomRefs2="a2 a13" order="S"/>
<bond atomRefs2="a2 a16" order="S"/>
<bond atomRefs2="a2 a3" order="S"/>
<bond atomRefs2="a3 a4" order="S"/>
<bond atomRefs2="a3 a7" order="S"/>
<bond atomRefs2="a4 a8" order="S"/>
<bond atomRefs2="a4 a5" order="S"/>
<bond atomRefs2="a5 a6" order="S"/>
<bond atomRefs2="a5 a12" order="S"/>
<bond atomRefs2="a6 a33" order="S"/>
<bond atomRefs2="a6 a7" order="S"/>
<bond atomRefs2="a8 a11" order="S"/>
<bond atomRefs2="a8 a10" order="S"/>
<bond atomRefs2="a8 a9" order="S"/>
<bond atomRefs2="a13 a15" order="S"/>
<bond atomRefs2="a13 a14" order="S"/>
<bond atomRefs2="a13 a19" order="S"/>
<bond atomRefs2="a14 a22" order="S"/>
<bond atomRefs2="a14 a23" order="S"/>
<bond atomRefs2="a14 a21" order="S"/>
<bond atomRefs2="a15 a24" order="S"/>
<bond atomRefs2="a15 a25" order="S"/>
<bond atomRefs2="a15 a26" order="S"/>
<bond atomRefs2="a16 a18" order="S"/>
<bond atomRefs2="a16 a17" order="S"/>
<bond atomRefs2="a16 a20" order="S"/>
<bond atomRefs2="a17 a28" order="S"/>
<bond atomRefs2="a17 a29" order="S"/>
<bond atomRefs2="a17 a27" order="S"/>
<bond atomRefs2="a18 a30" order="S"/>
<bond atomRefs2="a18 a31" order="S"/>
<bond atomRefs2="a18 a32" order="S"/>
<bond atomRefs2="a33 a36" order="S"/>
<bond atomRefs2="a33 a34" order="S"/>
<bond atomRefs2="a33 a35" order="S"/>
<bond atomRefs2="a34 a38" order="S"/>
<bond atomRefs2="a34 a39" order="S"/>
<bond atomRefs2="a34 a37" order="S"/>
<bond atomRefs2="a35 a40" order="S"/>
<bond atomRefs2="a35 a41" order="S"/>
<bond atomRefs2="a35 a42" order="S"/>
<bond atomRefs2="a36 a44" order="S"/>
<bond atomRefs2="a36 a45" order="S"/>
<bond atomRefs2="a36 a43" order="S"/>
<bond atomRefs2="a46 a48" order="S"/>
<bond atomRefs2="a46 a47" order="S"/>
<bond atomRefs2="a46 a49" order="S"/>
<bond atomRefs2="a47 a50" order="S"/>
<bond atomRefs2="a47 a51" order="S"/>
<bond atomRefs2="a48 a52" order="S"/>
<bond atomRefs2="a48 a53" order="S"/>
<bond atomRefs2="a50 a52" order="S"/>
<bond atomRefs2="a50 a54" order="S"/>
<bond atomRefs2="a52 a55" order="S"/>
<bond atomRefs2="a56 a57" order="S"/>
<bond atomRefs2="a56 a62" order="S"/>
<bond atomRefs2="a56 a61" order="S"/>
<bond atomRefs2="a57 a58" order="S"/>
<bond atomRefs2="a57 a63" order="S"/>
<bond atomRefs2="a58 a59" order="S"/>
<bond atomRefs2="a58 a64" order="S"/>
<bond atomRefs2="a58 a60" order="S"/>
<bond atomRefs2="a59 a67" order="S"/>
<bond atomRefs2="a59 a65" order="S"/>
<bond atomRefs2="a59 a66" order="S"/>
</bondArray>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">436.30326099999974</scalar>
</property>
<formula convention="iupac:inchi" inline="InChI=1S/C14H27N2P.C5H5.C4H8.Ru/c1-10(2)17(11(3)4)13-15-12(9-16(13)8)14(5,6)7;1-2-4-5-3-1;1-3-4-2;/h9-11H,1-8H3;1-5H;3H,1,4H2,2H3;/q-1;;;+1">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,17,18,34,35,36,8,5,13,16,6,3,33,7,4,2;46,47,48,50,52;56,59,57,58;1/E:(1,2,3,4)(5,6,7)(10,11);(1,2,3,4,5);;/CRV:9.3,12.3,13.3,15-1;1.3,2.3,3.3,4.3,5.3;1.3,3.3;/rA:67RuP4C3NC3C3NCHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/rB:s1;s2;s3;s4;s5;s1s3s6;s4;s8;s8;s8;s5;s2;s13;s13;s2;s16;s16;s13;s16;s14;s14;s14;s15;s15;s15;s17;s17;s17;s18;s18;s18;s6;s33;s33;s33;s34;s34;s34;s35;s35;s35;s36;s36;s36;s1;s1s46;s1s46;s46;s1s47;s47;s1s48s50;s48;s50;s52;s1;s1s56;s57;s58;s58;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
</formula>
</molecule>
</module>
</module>
<module cmlx:templateRef="job" dictRef="cc:job" id="job">
<module dictRef="cc:environment" id="environment">
<parameterList>
<parameter dictRef="cc:program">
<scalar dataType="xsd:string">Gaussian 09</scalar>
</parameter>
<parameter dictRef="cc:hostname">
<scalar dataType="xsd:string">GINC-NODE17</scalar>
</parameter>
<parameter dictRef="cc:jobname">
<scalar dataType="xsd:string">GROTJAHN</scalar>
</parameter>
<parameter dictRef="cc:title">
<scalar dataType="xsd:string">juf51a</scalar>
</parameter>
<parameter dictRef="cc:version">
<scalar dataType="xsd:string">ES64L-G09RevD.01</scalar>
</parameter>
</parameterList>
</module>
<module dictRef="cc:initialization" id="initialization">
<parameterList>
<parameter dictRef="cc:method">
<scalar dataType="xsd:string">RB3LYP</scalar>
</parameter>
<parameter dictRef="cc:basis">
<scalar dataType="xsd:string">GenECP</scalar>
</parameter>
<parameter dictRef="g:operation">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">#T</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Geom=AllCheck</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Guess=TCheck</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">SCRF=Check</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">GenChk</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">RB3LYP/GenECP</scalar>
</parameter>
<parameter dictRef="g:keyword">
<scalar dataType="xsd:string">Freq</scalar>
</parameter>
</parameterList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="link1a" dictRef="cc:userDefinedModule">
<list cmlx:templateRef="link1">
<scalar dataType="xsd:integer" dictRef="g:link1">2</scalar>
</list>
<module cmlx:templateRef="l1.keywords">
<scalar dataType="xsd:string" dictRef="cc:keyword">#T</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">Geom=AllCheck</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">Guess=TCheck</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">SCRF=Check</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">GenChk</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">RB3LYP/GenECP</scalar>
<scalar dataType="xsd:string" dictRef="cc:keyword">Freq</scalar>
</module>
<module cmlx:templateRef="l101.title">
<scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">juf51a</scalar>
</module>
<module cmlx:templateRef="l101.redundantcoords">
<scalar cmlx:templateRef="redundant" dataType="xsd:string" dictRef="g:redundant">Redundant internal coordinates found in file.</scalar>
</module>
<list cmlx:templateRef="link1a">
<scalar dataType="xsd:string" dictRef="g:link1a">Structure from the checkpoint file:  "juf51a.chk"</scalar>
</list>
</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:jobtime">
<scalar dataType="xsd:string">PT98178.800S</scalar>
</property>
<property dictRef="cc:jobdatetime.end">
<scalar dataType="xsd:date">2019-02-14T09:42:26.000+01:00</scalar>
</property>
<property>
<module cmlx:templateRef="l601.polariz">
<array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">331.636 -11.106 301.864 11.382 -15.133 314.247</array>
<array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">502.826 -12.769 510.546 6.176 -25.864 502.949</array>
</module>
</property>
</propertyList>
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
<scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
<scalar dataType="xsd:double" dictRef="cc:hfenergy" units="nonsi:hartree">-1446.0729146</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">3.354E-9</scalar>
<scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">6.104E-7</scalar>
<scalar dataType="xsd:string" dictRef="x:ZeroPoint">0.5867098</scalar>
<scalar dataType="xsd:string" dictRef="x:Thermal">0.6192577</scalar>
<scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C23H40N2P1Ru1)]</scalar>
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</property>
<formula convention="iupac:inchi" inline="InChI=1S/C14H27N2P.C5H5.C4H8.Ru/c1-10(2)17(11(3)4)13-15-12(9-16(13)8)14(5,6)7;1-2-4-5-3-1;1-3-4-2;/h9-11H,1-8H3;1-5H;3H,1,4H2,2H3;/q-1;;;+1">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:14,15,17,18,34,35,36,8,5,13,16,6,3,33,7,4,2;46,47,48,50,52;56,59,57,58;1/E:(1,2,3,4)(5,6,7)(10,11);(1,2,3,4,5);;/CRV:9.3,12.3,13.3,15-1;1.3,2.3,3.3,4.3,5.3;1.3,3.3;/rA:67RuP4C3NC3C3NCHHHHCCCCCCHHHHHHHHHHHHHHCCCCHHHHHHHHHCCCHCHCHHHCCCCHHHHHHHH/rB:s1;s2;s3;s4;s5;s1s3s6;s4;s8;s8;s8;s5;s2;s13;s13;s2;s16;s16;s13;s16;s14;s14;s14;s15;s15;s15;s17;s17;s17;s18;s18;s18;s6;s33;s33;s33;s34;s34;s34;s35;s35;s35;s36;s36;s36;s1;s1s46;s1s46;s46;s1s47;s47;s1s48s50;s48;s50;s52;s1;s1s56;s57;s58;s58;s56;s56;s57;s58;s59;s59;s59;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
</formula>
</molecule>
</module>
</module>
</module>
</module>
