<?xml version="1.0" encoding="UTF-8"?>
<!--

       Copyright 2011 Peter Murray-Rust et. al.

       Licensed under the Apache License, Version 2.0 (the "License");
       you may not use this file except in compliance with the License.
       You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

       Unless required by applicable law or agreed to in writing, software
       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and
       limitations under the License.

-->

<fragment convention="cml:PML-explicit" xmlns:g="http://www.xml-cml.org/mols/geom1" xmlns="http://www.xml-cml.org/schema">
  <!--// EtO(C=O)-{{OCH(Me)CH2)4 (CH(Ph)CH2)4)2-Ac -->
  <molecule role="fragment" id="coxy_1">
    <atomArray>
      <atom elementType="C" x3="4.93139628509961" y3="5.5531378" z3="19.989337480078" id="coxy_1_a24"> </atom>
      <atom elementType="H" x3="5.831978812041215" y3="5.374187" z3="19.676542755222968" id="coxy_1_a25"/>
      <atom elementType="H" x3="4.963029306269459" y3="6.3357644" z3="20.56058067771481" id="coxy_1_a26"/>
      <atom elementType="C" x3="4.047109556942474" y3="5.8362878" z3="18.813438412503512" id="coxy_1_a27">
        <label dictRef="cml:torsionEnd">a36</label>
      </atom>
      <atom elementType="C" x3="3.6929155774800755" y3="7.322259" z3="17.008646424721643" id="coxy_1_a28"/>
      <atom elementType="H" x3="2.779871557350349" y3="7.526127" z3="17.26575326202278" id="coxy_1_a29"/>
      <atom elementType="H" x3="3.6775783550946946" y3="6.598527600000001" z3="16.36144426465531" id="coxy_1_a30"/>
      <atom elementType="C" x3="4.341392511461977" y3="8.5182846" z3="16.42358663627627" id="coxy_1_a31"/>
      <atom elementType="H" x3="3.84964281873069" y3="8.8036998" z3="15.65159923664948" id="coxy_1_a32"/>
      <atom elementType="H" x3="5.241495750204037" y3="8.301958" z3="16.17061683266916" id="coxy_1_a33"/>
      <atom elementType="H" x3="4.353374716450555" y3="9.225027" z3="17.07481540507809" id="coxy_1_a34"/>
      <atom elementType="R" x3="4.677896380307435" y3="4.950461087569808" z3="20.396054308552916" id="coxy_1_a36"/>
      <atom elementType="O" x3="3.1005153628447255" y3="5.1907058" z3="18.505638407159548" id="coxy_1_a41"/>
      <atom elementType="O" x3="4.476072495533605" y3="6.931512000000001" z3="18.188701445608753" id="coxy_1_a42"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="coxy_1_a24_coxy_1_a25" atomRefs2="coxy_1_a24 coxy_1_a25"/>
      <bond order="1" id="coxy_1_a24_coxy_1_a26" atomRefs2="coxy_1_a24 coxy_1_a26"/>
      <bond order="1" id="coxy_1_a24_coxy_1_a27" atomRefs2="coxy_1_a24 coxy_1_a27"/>
      <bond order="1" id="coxy_1_a24_coxy_1_a36" atomRefs2="coxy_1_a24 coxy_1_a36"/>
      <bond order="2" id="coxy_1_a27_coxy_1_a41" atomRefs2="coxy_1_a27 coxy_1_a41"/>
      <bond order="1" id="coxy_1_a27_coxy_1_a42" atomRefs2="coxy_1_a27 coxy_1_a42"/>
      <bond order="1" id="coxy_1_a28_coxy_1_a29" atomRefs2="coxy_1_a28 coxy_1_a29"/>
      <bond order="1" id="coxy_1_a28_coxy_1_a30" atomRefs2="coxy_1_a28 coxy_1_a30"/>
      <bond order="1" id="coxy_1_a28_coxy_1_a31" atomRefs2="coxy_1_a28 coxy_1_a31"/>
      <bond order="1" id="coxy_1_a28_coxy_1_a42" atomRefs2="coxy_1_a28 coxy_1_a42"/>
      <bond order="1" id="coxy_1_a31_coxy_1_a32" atomRefs2="coxy_1_a31 coxy_1_a32"/>
      <bond order="1" id="coxy_1_a31_coxy_1_a33" atomRefs2="coxy_1_a31 coxy_1_a33"/>
      <bond order="1" id="coxy_1_a31_coxy_1_a34" atomRefs2="coxy_1_a31 coxy_1_a34"/>
    </bondArray>
  </molecule>
  <join atomRefs2="g:coxy_1_a36 g:po_2_r2" moleculeRefs2="g:coxy_1 g:po_2" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="po_2">
    <atomArray>
      <atom elementType="R" x3="1.2718481659602687" y3="-0.056654043087598735" z3="0.02401534139488537" id="po_2_r1"/>
      <atom elementType="C" x3="0.912" y3="-0.145" z3="0.699" id="po_2_a2"/>
      <atom elementType="C" x3="-0.599" y3="-0.016" z3="0.493" id="po_2_a3">
        <label dictRef="cml:torsionEnd">r1</label>
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="-0.908" y3="1.315" z3="-0.194" id="po_2_a4"/>
      <atom elementType="O" x3="-1.061" y3="-1.093" z3="-0.326" id="po_2_a5"/>
      <atom elementType="H" x3="1.14" y3="-1.13" z3="1.106" id="po_2_a7"/>
      <atom elementType="H" x3="1.25" y3="0.623" z3="1.394" id="po_2_a8"/>
      <atom elementType="H" x3="-1.102" y3="-0.053" z3="1.459" id="po_2_a9"/>
      <atom elementType="H" x3="-1.984" y3="1.407" z3="-0.341" id="po_2_a10"/>
      <atom elementType="H" x3="-0.556" y3="2.137" z3="0.43" id="po_2_a11"/>
      <atom elementType="H" x3="-0.405" y3="1.352" z3="-1.16" id="po_2_a12"/>
      <atom elementType="R" x3="-1.7811041326297956" y3="-1.0031756899549835" z3="-0.40525674415736745" id="po_2_r2"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="po_2_r1_po_2_a2" atomRefs2="po_2_r1 po_2_a2"/>
      <bond order="1" id="po_2_a2_po_2_a3" atomRefs2="po_2_a2 po_2_a3"/>
      <bond order="1" id="po_2_a2_po_2_a7" atomRefs2="po_2_a2 po_2_a7"/>
      <bond order="1" id="po_2_a2_po_2_a8" atomRefs2="po_2_a2 po_2_a8"/>
      <bond order="1" id="po_2_a3_po_2_a4" atomRefs2="po_2_a3 po_2_a4"/>
      <bond order="1" id="po_2_a3_po_2_a5" atomRefs2="po_2_a3 po_2_a5"/>
      <bond order="1" id="po_2_a3_po_2_a9" atomRefs2="po_2_a3 po_2_a9"/>
      <bond order="1" id="po_2_a4_po_2_a10" atomRefs2="po_2_a4 po_2_a10"/>
      <bond order="1" id="po_2_a4_po_2_a11" atomRefs2="po_2_a4 po_2_a11"/>
      <bond order="1" id="po_2_a4_po_2_a12" atomRefs2="po_2_a4 po_2_a12"/>
      <bond order="1" id="po_2_a5_po_2_r2" atomRefs2="po_2_a5 po_2_r2"/>
    </bondArray>
    <length id="po_2_len23" atomRefs2="po_2_a2 po_2_a3"/>
    <angle id="po_2_ang234" atomRefs3="po_2_a2 po_2_a3 po_2_a4"/>
    <angle id="po_2_ang123" atomRefs3="po_2_r1 po_2_a2 po_2_a3"/>
    <angle id="po_2_ang352" atomRefs3="po_2_a3 po_2_a5 po_2_r2"/>
    <torsion id="po_2_tor1" atomRefs4="po_2_r1 po_2_a2 po_2_a3 po_2_a5"/>
    <torsion id="po_2_tor2" atomRefs4="po_2_a2 po_2_a3 po_2_a5 po_2_r2"/>
    <arg parameterName="len23"/>
    <arg parameterName="ang234"/>
    <arg parameterName="ang123"/>
    <arg parameterName="ang352"/>
    <arg parameterName="tor1"/>
    <arg parameterName="tor2"/>
  </molecule>
  <join atomRefs2="g:po_2_r1 g:po_3_r2" moleculeRefs2="g:po_2 g:po_3" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="po_3">
    <atomArray>
      <atom elementType="R" x3="1.2718481659602687" y3="-0.056654043087598735" z3="0.02401534139488537" id="po_3_r1"/>
      <atom elementType="C" x3="0.912" y3="-0.145" z3="0.699" id="po_3_a2"/>
      <atom elementType="C" x3="-0.599" y3="-0.016" z3="0.493" id="po_3_a3">
        <label dictRef="cml:torsionEnd">r1</label>
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="-0.908" y3="1.315" z3="-0.194" id="po_3_a4"/>
      <atom elementType="O" x3="-1.061" y3="-1.093" z3="-0.326" id="po_3_a5"/>
      <atom elementType="H" x3="1.14" y3="-1.13" z3="1.106" id="po_3_a7"/>
      <atom elementType="H" x3="1.25" y3="0.623" z3="1.394" id="po_3_a8"/>
      <atom elementType="H" x3="-1.102" y3="-0.053" z3="1.459" id="po_3_a9"/>
      <atom elementType="H" x3="-1.984" y3="1.407" z3="-0.341" id="po_3_a10"/>
      <atom elementType="H" x3="-0.556" y3="2.137" z3="0.43" id="po_3_a11"/>
      <atom elementType="H" x3="-0.405" y3="1.352" z3="-1.16" id="po_3_a12"/>
      <atom elementType="R" x3="-1.7811041326297956" y3="-1.0031756899549835" z3="-0.40525674415736745" id="po_3_r2"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="po_3_r1_po_3_a2" atomRefs2="po_3_r1 po_3_a2"/>
      <bond order="1" id="po_3_a2_po_3_a3" atomRefs2="po_3_a2 po_3_a3"/>
      <bond order="1" id="po_3_a2_po_3_a7" atomRefs2="po_3_a2 po_3_a7"/>
      <bond order="1" id="po_3_a2_po_3_a8" atomRefs2="po_3_a2 po_3_a8"/>
      <bond order="1" id="po_3_a3_po_3_a4" atomRefs2="po_3_a3 po_3_a4"/>
      <bond order="1" id="po_3_a3_po_3_a5" atomRefs2="po_3_a3 po_3_a5"/>
      <bond order="1" id="po_3_a3_po_3_a9" atomRefs2="po_3_a3 po_3_a9"/>
      <bond order="1" id="po_3_a4_po_3_a10" atomRefs2="po_3_a4 po_3_a10"/>
      <bond order="1" id="po_3_a4_po_3_a11" atomRefs2="po_3_a4 po_3_a11"/>
      <bond order="1" id="po_3_a4_po_3_a12" atomRefs2="po_3_a4 po_3_a12"/>
      <bond order="1" id="po_3_a5_po_3_r2" atomRefs2="po_3_a5 po_3_r2"/>
    </bondArray>
    <length id="po_3_len23" atomRefs2="po_3_a2 po_3_a3"/>
    <angle id="po_3_ang234" atomRefs3="po_3_a2 po_3_a3 po_3_a4"/>
    <angle id="po_3_ang123" atomRefs3="po_3_r1 po_3_a2 po_3_a3"/>
    <angle id="po_3_ang352" atomRefs3="po_3_a3 po_3_a5 po_3_r2"/>
    <torsion id="po_3_tor1" atomRefs4="po_3_r1 po_3_a2 po_3_a3 po_3_a5"/>
    <torsion id="po_3_tor2" atomRefs4="po_3_a2 po_3_a3 po_3_a5 po_3_r2"/>
    <arg parameterName="len23"/>
    <arg parameterName="ang234"/>
    <arg parameterName="ang123"/>
    <arg parameterName="ang352"/>
    <arg parameterName="tor1"/>
    <arg parameterName="tor2"/>
  </molecule>
  <join atomRefs2="g:po_3_r1 g:po_4_r2" moleculeRefs2="g:po_3 g:po_4" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="po_4">
    <atomArray>
      <atom elementType="R" x3="1.2718481659602687" y3="-0.056654043087598735" z3="0.02401534139488537" id="po_4_r1"/>
      <atom elementType="C" x3="0.912" y3="-0.145" z3="0.699" id="po_4_a2"/>
      <atom elementType="C" x3="-0.599" y3="-0.016" z3="0.493" id="po_4_a3">
        <label dictRef="cml:torsionEnd">r1</label>
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="-0.908" y3="1.315" z3="-0.194" id="po_4_a4"/>
      <atom elementType="O" x3="-1.061" y3="-1.093" z3="-0.326" id="po_4_a5"/>
      <atom elementType="H" x3="1.14" y3="-1.13" z3="1.106" id="po_4_a7"/>
      <atom elementType="H" x3="1.25" y3="0.623" z3="1.394" id="po_4_a8"/>
      <atom elementType="H" x3="-1.102" y3="-0.053" z3="1.459" id="po_4_a9"/>
      <atom elementType="H" x3="-1.984" y3="1.407" z3="-0.341" id="po_4_a10"/>
      <atom elementType="H" x3="-0.556" y3="2.137" z3="0.43" id="po_4_a11"/>
      <atom elementType="H" x3="-0.405" y3="1.352" z3="-1.16" id="po_4_a12"/>
      <atom elementType="R" x3="-1.7811041326297956" y3="-1.0031756899549835" z3="-0.40525674415736745" id="po_4_r2"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="po_4_r1_po_4_a2" atomRefs2="po_4_r1 po_4_a2"/>
      <bond order="1" id="po_4_a2_po_4_a3" atomRefs2="po_4_a2 po_4_a3"/>
      <bond order="1" id="po_4_a2_po_4_a7" atomRefs2="po_4_a2 po_4_a7"/>
      <bond order="1" id="po_4_a2_po_4_a8" atomRefs2="po_4_a2 po_4_a8"/>
      <bond order="1" id="po_4_a3_po_4_a4" atomRefs2="po_4_a3 po_4_a4"/>
      <bond order="1" id="po_4_a3_po_4_a5" atomRefs2="po_4_a3 po_4_a5"/>
      <bond order="1" id="po_4_a3_po_4_a9" atomRefs2="po_4_a3 po_4_a9"/>
      <bond order="1" id="po_4_a4_po_4_a10" atomRefs2="po_4_a4 po_4_a10"/>
      <bond order="1" id="po_4_a4_po_4_a11" atomRefs2="po_4_a4 po_4_a11"/>
      <bond order="1" id="po_4_a4_po_4_a12" atomRefs2="po_4_a4 po_4_a12"/>
      <bond order="1" id="po_4_a5_po_4_r2" atomRefs2="po_4_a5 po_4_r2"/>
    </bondArray>
    <length id="po_4_len23" atomRefs2="po_4_a2 po_4_a3"/>
    <angle id="po_4_ang234" atomRefs3="po_4_a2 po_4_a3 po_4_a4"/>
    <angle id="po_4_ang123" atomRefs3="po_4_r1 po_4_a2 po_4_a3"/>
    <angle id="po_4_ang352" atomRefs3="po_4_a3 po_4_a5 po_4_r2"/>
    <torsion id="po_4_tor1" atomRefs4="po_4_r1 po_4_a2 po_4_a3 po_4_a5"/>
    <torsion id="po_4_tor2" atomRefs4="po_4_a2 po_4_a3 po_4_a5 po_4_r2"/>
    <arg parameterName="len23"/>
    <arg parameterName="ang234"/>
    <arg parameterName="ang123"/>
    <arg parameterName="ang352"/>
    <arg parameterName="tor1"/>
    <arg parameterName="tor2"/>
  </molecule>
  <join atomRefs2="g:po_4_r1 g:phenylethane_5_r2" moleculeRefs2="g:po_4 g:phenylethane_5" order="S"/>
  <molecule role="fragment" id="phenylethane_5">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_5_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_5_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_5_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_5_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_5_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_5_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_5_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_5_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_5_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_5_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_5_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_5_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_5_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_5_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_5_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_5_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_5_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_5_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_5_a1_phenylethane_5_a2" atomRefs2="phenylethane_5_a1 phenylethane_5_a2"/>
      <bond order="1" id="phenylethane_5_a1_phenylethane_5_a9" atomRefs2="phenylethane_5_a1 phenylethane_5_a9"/>
      <bond order="1" id="phenylethane_5_a1_phenylethane_5_a10" atomRefs2="phenylethane_5_a1 phenylethane_5_a10"/>
      <bond order="1" id="phenylethane_5_a1_phenylethane_5_r1" atomRefs2="phenylethane_5_a1 phenylethane_5_r1"/>
      <bond order="1" id="phenylethane_5_a2_phenylethane_5_a3" atomRefs2="phenylethane_5_a2 phenylethane_5_a3"/>
      <bond order="1" id="phenylethane_5_a2_phenylethane_5_r2" atomRefs2="phenylethane_5_a2 phenylethane_5_r2"/>
      <bond order="1" id="phenylethane_5_a2_phenylethane_5_a13" atomRefs2="phenylethane_5_a2 phenylethane_5_a13"/>
      <bond order="2" id="phenylethane_5_a3_phenylethane_5_a8" atomRefs2="phenylethane_5_a3 phenylethane_5_a8"/>
      <bond order="1" id="phenylethane_5_a3_phenylethane_5_a4" atomRefs2="phenylethane_5_a3 phenylethane_5_a4"/>
      <bond order="2" id="phenylethane_5_a4_phenylethane_5_a5" atomRefs2="phenylethane_5_a4 phenylethane_5_a5"/>
      <bond order="1" id="phenylethane_5_a4_phenylethane_5_a14" atomRefs2="phenylethane_5_a4 phenylethane_5_a14"/>
      <bond order="1" id="phenylethane_5_a5_phenylethane_5_a6" atomRefs2="phenylethane_5_a5 phenylethane_5_a6"/>
      <bond order="1" id="phenylethane_5_a5_phenylethane_5_a15" atomRefs2="phenylethane_5_a5 phenylethane_5_a15"/>
      <bond order="2" id="phenylethane_5_a6_phenylethane_5_a7" atomRefs2="phenylethane_5_a6 phenylethane_5_a7"/>
      <bond order="1" id="phenylethane_5_a6_phenylethane_5_a16" atomRefs2="phenylethane_5_a6 phenylethane_5_a16"/>
      <bond order="1" id="phenylethane_5_a7_phenylethane_5_a8" atomRefs2="phenylethane_5_a7 phenylethane_5_a8"/>
      <bond order="1" id="phenylethane_5_a7_phenylethane_5_a17" atomRefs2="phenylethane_5_a7 phenylethane_5_a17"/>
      <bond order="1" id="phenylethane_5_a8_phenylethane_5_a18" atomRefs2="phenylethane_5_a8 phenylethane_5_a18"/>
    </bondArray>
    <torsion id="phenylethane_5_main" atomRefs4="phenylethane_5_r1 phenylethane_5_a1 phenylethane_5_a2 phenylethane_5_r2"/>
    <torsion id="phenylethane_5_side" atomRefs4="phenylethane_5_a1 phenylethane_5_a2 phenylethane_5_a3 phenylethane_5_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_5_r1 g:phenylethane_6_r2" moleculeRefs2="g:phenylethane_5 g:phenylethane_6" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="phenylethane_6">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_6_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_6_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_6_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_6_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_6_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_6_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_6_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_6_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_6_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_6_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_6_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_6_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_6_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_6_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_6_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_6_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_6_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_6_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_6_a1_phenylethane_6_a2" atomRefs2="phenylethane_6_a1 phenylethane_6_a2"/>
      <bond order="1" id="phenylethane_6_a1_phenylethane_6_a9" atomRefs2="phenylethane_6_a1 phenylethane_6_a9"/>
      <bond order="1" id="phenylethane_6_a1_phenylethane_6_a10" atomRefs2="phenylethane_6_a1 phenylethane_6_a10"/>
      <bond order="1" id="phenylethane_6_a1_phenylethane_6_r1" atomRefs2="phenylethane_6_a1 phenylethane_6_r1"/>
      <bond order="1" id="phenylethane_6_a2_phenylethane_6_a3" atomRefs2="phenylethane_6_a2 phenylethane_6_a3"/>
      <bond order="1" id="phenylethane_6_a2_phenylethane_6_r2" atomRefs2="phenylethane_6_a2 phenylethane_6_r2"/>
      <bond order="1" id="phenylethane_6_a2_phenylethane_6_a13" atomRefs2="phenylethane_6_a2 phenylethane_6_a13"/>
      <bond order="2" id="phenylethane_6_a3_phenylethane_6_a8" atomRefs2="phenylethane_6_a3 phenylethane_6_a8"/>
      <bond order="1" id="phenylethane_6_a3_phenylethane_6_a4" atomRefs2="phenylethane_6_a3 phenylethane_6_a4"/>
      <bond order="2" id="phenylethane_6_a4_phenylethane_6_a5" atomRefs2="phenylethane_6_a4 phenylethane_6_a5"/>
      <bond order="1" id="phenylethane_6_a4_phenylethane_6_a14" atomRefs2="phenylethane_6_a4 phenylethane_6_a14"/>
      <bond order="1" id="phenylethane_6_a5_phenylethane_6_a6" atomRefs2="phenylethane_6_a5 phenylethane_6_a6"/>
      <bond order="1" id="phenylethane_6_a5_phenylethane_6_a15" atomRefs2="phenylethane_6_a5 phenylethane_6_a15"/>
      <bond order="2" id="phenylethane_6_a6_phenylethane_6_a7" atomRefs2="phenylethane_6_a6 phenylethane_6_a7"/>
      <bond order="1" id="phenylethane_6_a6_phenylethane_6_a16" atomRefs2="phenylethane_6_a6 phenylethane_6_a16"/>
      <bond order="1" id="phenylethane_6_a7_phenylethane_6_a8" atomRefs2="phenylethane_6_a7 phenylethane_6_a8"/>
      <bond order="1" id="phenylethane_6_a7_phenylethane_6_a17" atomRefs2="phenylethane_6_a7 phenylethane_6_a17"/>
      <bond order="1" id="phenylethane_6_a8_phenylethane_6_a18" atomRefs2="phenylethane_6_a8 phenylethane_6_a18"/>
    </bondArray>
    <torsion id="phenylethane_6_main" atomRefs4="phenylethane_6_r1 phenylethane_6_a1 phenylethane_6_a2 phenylethane_6_r2"/>
    <torsion id="phenylethane_6_side" atomRefs4="phenylethane_6_a1 phenylethane_6_a2 phenylethane_6_a3 phenylethane_6_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_6_r1 g:phenylethane_7_r2" moleculeRefs2="g:phenylethane_6 g:phenylethane_7" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="phenylethane_7">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_7_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_7_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_7_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_7_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_7_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_7_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_7_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_7_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_7_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_7_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_7_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_7_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_7_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_7_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_7_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_7_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_7_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_7_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_7_a1_phenylethane_7_a2" atomRefs2="phenylethane_7_a1 phenylethane_7_a2"/>
      <bond order="1" id="phenylethane_7_a1_phenylethane_7_a9" atomRefs2="phenylethane_7_a1 phenylethane_7_a9"/>
      <bond order="1" id="phenylethane_7_a1_phenylethane_7_a10" atomRefs2="phenylethane_7_a1 phenylethane_7_a10"/>
      <bond order="1" id="phenylethane_7_a1_phenylethane_7_r1" atomRefs2="phenylethane_7_a1 phenylethane_7_r1"/>
      <bond order="1" id="phenylethane_7_a2_phenylethane_7_a3" atomRefs2="phenylethane_7_a2 phenylethane_7_a3"/>
      <bond order="1" id="phenylethane_7_a2_phenylethane_7_r2" atomRefs2="phenylethane_7_a2 phenylethane_7_r2"/>
      <bond order="1" id="phenylethane_7_a2_phenylethane_7_a13" atomRefs2="phenylethane_7_a2 phenylethane_7_a13"/>
      <bond order="2" id="phenylethane_7_a3_phenylethane_7_a8" atomRefs2="phenylethane_7_a3 phenylethane_7_a8"/>
      <bond order="1" id="phenylethane_7_a3_phenylethane_7_a4" atomRefs2="phenylethane_7_a3 phenylethane_7_a4"/>
      <bond order="2" id="phenylethane_7_a4_phenylethane_7_a5" atomRefs2="phenylethane_7_a4 phenylethane_7_a5"/>
      <bond order="1" id="phenylethane_7_a4_phenylethane_7_a14" atomRefs2="phenylethane_7_a4 phenylethane_7_a14"/>
      <bond order="1" id="phenylethane_7_a5_phenylethane_7_a6" atomRefs2="phenylethane_7_a5 phenylethane_7_a6"/>
      <bond order="1" id="phenylethane_7_a5_phenylethane_7_a15" atomRefs2="phenylethane_7_a5 phenylethane_7_a15"/>
      <bond order="2" id="phenylethane_7_a6_phenylethane_7_a7" atomRefs2="phenylethane_7_a6 phenylethane_7_a7"/>
      <bond order="1" id="phenylethane_7_a6_phenylethane_7_a16" atomRefs2="phenylethane_7_a6 phenylethane_7_a16"/>
      <bond order="1" id="phenylethane_7_a7_phenylethane_7_a8" atomRefs2="phenylethane_7_a7 phenylethane_7_a8"/>
      <bond order="1" id="phenylethane_7_a7_phenylethane_7_a17" atomRefs2="phenylethane_7_a7 phenylethane_7_a17"/>
      <bond order="1" id="phenylethane_7_a8_phenylethane_7_a18" atomRefs2="phenylethane_7_a8 phenylethane_7_a18"/>
    </bondArray>
    <torsion id="phenylethane_7_main" atomRefs4="phenylethane_7_r1 phenylethane_7_a1 phenylethane_7_a2 phenylethane_7_r2"/>
    <torsion id="phenylethane_7_side" atomRefs4="phenylethane_7_a1 phenylethane_7_a2 phenylethane_7_a3 phenylethane_7_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_7_r1 g:phenylethane_8_r2" moleculeRefs2="g:phenylethane_7 g:phenylethane_8" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="phenylethane_8">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_8_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_8_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_8_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_8_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_8_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_8_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_8_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_8_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_8_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_8_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_8_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_8_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_8_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_8_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_8_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_8_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_8_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_8_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_8_a1_phenylethane_8_a2" atomRefs2="phenylethane_8_a1 phenylethane_8_a2"/>
      <bond order="1" id="phenylethane_8_a1_phenylethane_8_a9" atomRefs2="phenylethane_8_a1 phenylethane_8_a9"/>
      <bond order="1" id="phenylethane_8_a1_phenylethane_8_a10" atomRefs2="phenylethane_8_a1 phenylethane_8_a10"/>
      <bond order="1" id="phenylethane_8_a1_phenylethane_8_r1" atomRefs2="phenylethane_8_a1 phenylethane_8_r1"/>
      <bond order="1" id="phenylethane_8_a2_phenylethane_8_a3" atomRefs2="phenylethane_8_a2 phenylethane_8_a3"/>
      <bond order="1" id="phenylethane_8_a2_phenylethane_8_r2" atomRefs2="phenylethane_8_a2 phenylethane_8_r2"/>
      <bond order="1" id="phenylethane_8_a2_phenylethane_8_a13" atomRefs2="phenylethane_8_a2 phenylethane_8_a13"/>
      <bond order="2" id="phenylethane_8_a3_phenylethane_8_a8" atomRefs2="phenylethane_8_a3 phenylethane_8_a8"/>
      <bond order="1" id="phenylethane_8_a3_phenylethane_8_a4" atomRefs2="phenylethane_8_a3 phenylethane_8_a4"/>
      <bond order="2" id="phenylethane_8_a4_phenylethane_8_a5" atomRefs2="phenylethane_8_a4 phenylethane_8_a5"/>
      <bond order="1" id="phenylethane_8_a4_phenylethane_8_a14" atomRefs2="phenylethane_8_a4 phenylethane_8_a14"/>
      <bond order="1" id="phenylethane_8_a5_phenylethane_8_a6" atomRefs2="phenylethane_8_a5 phenylethane_8_a6"/>
      <bond order="1" id="phenylethane_8_a5_phenylethane_8_a15" atomRefs2="phenylethane_8_a5 phenylethane_8_a15"/>
      <bond order="2" id="phenylethane_8_a6_phenylethane_8_a7" atomRefs2="phenylethane_8_a6 phenylethane_8_a7"/>
      <bond order="1" id="phenylethane_8_a6_phenylethane_8_a16" atomRefs2="phenylethane_8_a6 phenylethane_8_a16"/>
      <bond order="1" id="phenylethane_8_a7_phenylethane_8_a8" atomRefs2="phenylethane_8_a7 phenylethane_8_a8"/>
      <bond order="1" id="phenylethane_8_a7_phenylethane_8_a17" atomRefs2="phenylethane_8_a7 phenylethane_8_a17"/>
      <bond order="1" id="phenylethane_8_a8_phenylethane_8_a18" atomRefs2="phenylethane_8_a8 phenylethane_8_a18"/>
    </bondArray>
    <torsion id="phenylethane_8_main" atomRefs4="phenylethane_8_r1 phenylethane_8_a1 phenylethane_8_a2 phenylethane_8_r2"/>
    <torsion id="phenylethane_8_side" atomRefs4="phenylethane_8_a1 phenylethane_8_a2 phenylethane_8_a3 phenylethane_8_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_8_r1 g:po_9_r2" moleculeRefs2="g:phenylethane_8 g:po_9" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="po_9">
    <atomArray>
      <atom elementType="R" x3="1.2718481659602687" y3="-0.056654043087598735" z3="0.02401534139488537" id="po_9_r1"/>
      <atom elementType="C" x3="0.912" y3="-0.145" z3="0.699" id="po_9_a2"/>
      <atom elementType="C" x3="-0.599" y3="-0.016" z3="0.493" id="po_9_a3">
        <label dictRef="cml:torsionEnd">r1</label>
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="-0.908" y3="1.315" z3="-0.194" id="po_9_a4"/>
      <atom elementType="O" x3="-1.061" y3="-1.093" z3="-0.326" id="po_9_a5"/>
      <atom elementType="H" x3="1.14" y3="-1.13" z3="1.106" id="po_9_a7"/>
      <atom elementType="H" x3="1.25" y3="0.623" z3="1.394" id="po_9_a8"/>
      <atom elementType="H" x3="-1.102" y3="-0.053" z3="1.459" id="po_9_a9"/>
      <atom elementType="H" x3="-1.984" y3="1.407" z3="-0.341" id="po_9_a10"/>
      <atom elementType="H" x3="-0.556" y3="2.137" z3="0.43" id="po_9_a11"/>
      <atom elementType="H" x3="-0.405" y3="1.352" z3="-1.16" id="po_9_a12"/>
      <atom elementType="R" x3="-1.7811041326297956" y3="-1.0031756899549835" z3="-0.40525674415736745" id="po_9_r2"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="po_9_r1_po_9_a2" atomRefs2="po_9_r1 po_9_a2"/>
      <bond order="1" id="po_9_a2_po_9_a3" atomRefs2="po_9_a2 po_9_a3"/>
      <bond order="1" id="po_9_a2_po_9_a7" atomRefs2="po_9_a2 po_9_a7"/>
      <bond order="1" id="po_9_a2_po_9_a8" atomRefs2="po_9_a2 po_9_a8"/>
      <bond order="1" id="po_9_a3_po_9_a4" atomRefs2="po_9_a3 po_9_a4"/>
      <bond order="1" id="po_9_a3_po_9_a5" atomRefs2="po_9_a3 po_9_a5"/>
      <bond order="1" id="po_9_a3_po_9_a9" atomRefs2="po_9_a3 po_9_a9"/>
      <bond order="1" id="po_9_a4_po_9_a10" atomRefs2="po_9_a4 po_9_a10"/>
      <bond order="1" id="po_9_a4_po_9_a11" atomRefs2="po_9_a4 po_9_a11"/>
      <bond order="1" id="po_9_a4_po_9_a12" atomRefs2="po_9_a4 po_9_a12"/>
      <bond order="1" id="po_9_a5_po_9_r2" atomRefs2="po_9_a5 po_9_r2"/>
    </bondArray>
    <length id="po_9_len23" atomRefs2="po_9_a2 po_9_a3"/>
    <angle id="po_9_ang234" atomRefs3="po_9_a2 po_9_a3 po_9_a4"/>
    <angle id="po_9_ang123" atomRefs3="po_9_r1 po_9_a2 po_9_a3"/>
    <angle id="po_9_ang352" atomRefs3="po_9_a3 po_9_a5 po_9_r2"/>
    <torsion id="po_9_tor1" atomRefs4="po_9_r1 po_9_a2 po_9_a3 po_9_a5"/>
    <torsion id="po_9_tor2" atomRefs4="po_9_a2 po_9_a3 po_9_a5 po_9_r2"/>
    <arg parameterName="len23"/>
    <arg parameterName="ang234"/>
    <arg parameterName="ang123"/>
    <arg parameterName="ang352"/>
    <arg parameterName="tor1"/>
    <arg parameterName="tor2"/>
  </molecule>
  <join atomRefs2="g:po_9_r1 g:po_10_r2" moleculeRefs2="g:po_9 g:po_10" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="po_10">
    <atomArray>
      <atom elementType="R" x3="1.2718481659602687" y3="-0.056654043087598735" z3="0.02401534139488537" id="po_10_r1"/>
      <atom elementType="C" x3="0.912" y3="-0.145" z3="0.699" id="po_10_a2"/>
      <atom elementType="C" x3="-0.599" y3="-0.016" z3="0.493" id="po_10_a3">
        <label dictRef="cml:torsionEnd">r1</label>
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="-0.908" y3="1.315" z3="-0.194" id="po_10_a4"/>
      <atom elementType="O" x3="-1.061" y3="-1.093" z3="-0.326" id="po_10_a5"/>
      <atom elementType="H" x3="1.14" y3="-1.13" z3="1.106" id="po_10_a7"/>
      <atom elementType="H" x3="1.25" y3="0.623" z3="1.394" id="po_10_a8"/>
      <atom elementType="H" x3="-1.102" y3="-0.053" z3="1.459" id="po_10_a9"/>
      <atom elementType="H" x3="-1.984" y3="1.407" z3="-0.341" id="po_10_a10"/>
      <atom elementType="H" x3="-0.556" y3="2.137" z3="0.43" id="po_10_a11"/>
      <atom elementType="H" x3="-0.405" y3="1.352" z3="-1.16" id="po_10_a12"/>
      <atom elementType="R" x3="-1.7811041326297956" y3="-1.0031756899549835" z3="-0.40525674415736745" id="po_10_r2"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="po_10_r1_po_10_a2" atomRefs2="po_10_r1 po_10_a2"/>
      <bond order="1" id="po_10_a2_po_10_a3" atomRefs2="po_10_a2 po_10_a3"/>
      <bond order="1" id="po_10_a2_po_10_a7" atomRefs2="po_10_a2 po_10_a7"/>
      <bond order="1" id="po_10_a2_po_10_a8" atomRefs2="po_10_a2 po_10_a8"/>
      <bond order="1" id="po_10_a3_po_10_a4" atomRefs2="po_10_a3 po_10_a4"/>
      <bond order="1" id="po_10_a3_po_10_a5" atomRefs2="po_10_a3 po_10_a5"/>
      <bond order="1" id="po_10_a3_po_10_a9" atomRefs2="po_10_a3 po_10_a9"/>
      <bond order="1" id="po_10_a4_po_10_a10" atomRefs2="po_10_a4 po_10_a10"/>
      <bond order="1" id="po_10_a4_po_10_a11" atomRefs2="po_10_a4 po_10_a11"/>
      <bond order="1" id="po_10_a4_po_10_a12" atomRefs2="po_10_a4 po_10_a12"/>
      <bond order="1" id="po_10_a5_po_10_r2" atomRefs2="po_10_a5 po_10_r2"/>
    </bondArray>
    <length id="po_10_len23" atomRefs2="po_10_a2 po_10_a3"/>
    <angle id="po_10_ang234" atomRefs3="po_10_a2 po_10_a3 po_10_a4"/>
    <angle id="po_10_ang123" atomRefs3="po_10_r1 po_10_a2 po_10_a3"/>
    <angle id="po_10_ang352" atomRefs3="po_10_a3 po_10_a5 po_10_r2"/>
    <torsion id="po_10_tor1" atomRefs4="po_10_r1 po_10_a2 po_10_a3 po_10_a5"/>
    <torsion id="po_10_tor2" atomRefs4="po_10_a2 po_10_a3 po_10_a5 po_10_r2"/>
    <arg parameterName="len23"/>
    <arg parameterName="ang234"/>
    <arg parameterName="ang123"/>
    <arg parameterName="ang352"/>
    <arg parameterName="tor1"/>
    <arg parameterName="tor2"/>
  </molecule>
  <join atomRefs2="g:po_10_r1 g:po_11_r2" moleculeRefs2="g:po_10 g:po_11" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="po_11">
    <atomArray>
      <atom elementType="R" x3="1.2718481659602687" y3="-0.056654043087598735" z3="0.02401534139488537" id="po_11_r1"/>
      <atom elementType="C" x3="0.912" y3="-0.145" z3="0.699" id="po_11_a2"/>
      <atom elementType="C" x3="-0.599" y3="-0.016" z3="0.493" id="po_11_a3">
        <label dictRef="cml:torsionEnd">r1</label>
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="-0.908" y3="1.315" z3="-0.194" id="po_11_a4"/>
      <atom elementType="O" x3="-1.061" y3="-1.093" z3="-0.326" id="po_11_a5"/>
      <atom elementType="H" x3="1.14" y3="-1.13" z3="1.106" id="po_11_a7"/>
      <atom elementType="H" x3="1.25" y3="0.623" z3="1.394" id="po_11_a8"/>
      <atom elementType="H" x3="-1.102" y3="-0.053" z3="1.459" id="po_11_a9"/>
      <atom elementType="H" x3="-1.984" y3="1.407" z3="-0.341" id="po_11_a10"/>
      <atom elementType="H" x3="-0.556" y3="2.137" z3="0.43" id="po_11_a11"/>
      <atom elementType="H" x3="-0.405" y3="1.352" z3="-1.16" id="po_11_a12"/>
      <atom elementType="R" x3="-1.7811041326297956" y3="-1.0031756899549835" z3="-0.40525674415736745" id="po_11_r2"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="po_11_r1_po_11_a2" atomRefs2="po_11_r1 po_11_a2"/>
      <bond order="1" id="po_11_a2_po_11_a3" atomRefs2="po_11_a2 po_11_a3"/>
      <bond order="1" id="po_11_a2_po_11_a7" atomRefs2="po_11_a2 po_11_a7"/>
      <bond order="1" id="po_11_a2_po_11_a8" atomRefs2="po_11_a2 po_11_a8"/>
      <bond order="1" id="po_11_a3_po_11_a4" atomRefs2="po_11_a3 po_11_a4"/>
      <bond order="1" id="po_11_a3_po_11_a5" atomRefs2="po_11_a3 po_11_a5"/>
      <bond order="1" id="po_11_a3_po_11_a9" atomRefs2="po_11_a3 po_11_a9"/>
      <bond order="1" id="po_11_a4_po_11_a10" atomRefs2="po_11_a4 po_11_a10"/>
      <bond order="1" id="po_11_a4_po_11_a11" atomRefs2="po_11_a4 po_11_a11"/>
      <bond order="1" id="po_11_a4_po_11_a12" atomRefs2="po_11_a4 po_11_a12"/>
      <bond order="1" id="po_11_a5_po_11_r2" atomRefs2="po_11_a5 po_11_r2"/>
    </bondArray>
    <length id="po_11_len23" atomRefs2="po_11_a2 po_11_a3"/>
    <angle id="po_11_ang234" atomRefs3="po_11_a2 po_11_a3 po_11_a4"/>
    <angle id="po_11_ang123" atomRefs3="po_11_r1 po_11_a2 po_11_a3"/>
    <angle id="po_11_ang352" atomRefs3="po_11_a3 po_11_a5 po_11_r2"/>
    <torsion id="po_11_tor1" atomRefs4="po_11_r1 po_11_a2 po_11_a3 po_11_a5"/>
    <torsion id="po_11_tor2" atomRefs4="po_11_a2 po_11_a3 po_11_a5 po_11_r2"/>
    <arg parameterName="len23"/>
    <arg parameterName="ang234"/>
    <arg parameterName="ang123"/>
    <arg parameterName="ang352"/>
    <arg parameterName="tor1"/>
    <arg parameterName="tor2"/>
  </molecule>
  <join atomRefs2="g:po_11_r1 g:phenylethane_12_r2" moleculeRefs2="g:po_11 g:phenylethane_12" order="S"/>
  <molecule role="fragment" id="phenylethane_12">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_12_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_12_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_12_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_12_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_12_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_12_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_12_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_12_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_12_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_12_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_12_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_12_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_12_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_12_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_12_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_12_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_12_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_12_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_12_a1_phenylethane_12_a2" atomRefs2="phenylethane_12_a1 phenylethane_12_a2"/>
      <bond order="1" id="phenylethane_12_a1_phenylethane_12_a9" atomRefs2="phenylethane_12_a1 phenylethane_12_a9"/>
      <bond order="1" id="phenylethane_12_a1_phenylethane_12_a10" atomRefs2="phenylethane_12_a1 phenylethane_12_a10"/>
      <bond order="1" id="phenylethane_12_a1_phenylethane_12_r1" atomRefs2="phenylethane_12_a1 phenylethane_12_r1"/>
      <bond order="1" id="phenylethane_12_a2_phenylethane_12_a3" atomRefs2="phenylethane_12_a2 phenylethane_12_a3"/>
      <bond order="1" id="phenylethane_12_a2_phenylethane_12_r2" atomRefs2="phenylethane_12_a2 phenylethane_12_r2"/>
      <bond order="1" id="phenylethane_12_a2_phenylethane_12_a13" atomRefs2="phenylethane_12_a2 phenylethane_12_a13"/>
      <bond order="2" id="phenylethane_12_a3_phenylethane_12_a8" atomRefs2="phenylethane_12_a3 phenylethane_12_a8"/>
      <bond order="1" id="phenylethane_12_a3_phenylethane_12_a4" atomRefs2="phenylethane_12_a3 phenylethane_12_a4"/>
      <bond order="2" id="phenylethane_12_a4_phenylethane_12_a5" atomRefs2="phenylethane_12_a4 phenylethane_12_a5"/>
      <bond order="1" id="phenylethane_12_a4_phenylethane_12_a14" atomRefs2="phenylethane_12_a4 phenylethane_12_a14"/>
      <bond order="1" id="phenylethane_12_a5_phenylethane_12_a6" atomRefs2="phenylethane_12_a5 phenylethane_12_a6"/>
      <bond order="1" id="phenylethane_12_a5_phenylethane_12_a15" atomRefs2="phenylethane_12_a5 phenylethane_12_a15"/>
      <bond order="2" id="phenylethane_12_a6_phenylethane_12_a7" atomRefs2="phenylethane_12_a6 phenylethane_12_a7"/>
      <bond order="1" id="phenylethane_12_a6_phenylethane_12_a16" atomRefs2="phenylethane_12_a6 phenylethane_12_a16"/>
      <bond order="1" id="phenylethane_12_a7_phenylethane_12_a8" atomRefs2="phenylethane_12_a7 phenylethane_12_a8"/>
      <bond order="1" id="phenylethane_12_a7_phenylethane_12_a17" atomRefs2="phenylethane_12_a7 phenylethane_12_a17"/>
      <bond order="1" id="phenylethane_12_a8_phenylethane_12_a18" atomRefs2="phenylethane_12_a8 phenylethane_12_a18"/>
    </bondArray>
    <torsion id="phenylethane_12_main" atomRefs4="phenylethane_12_r1 phenylethane_12_a1 phenylethane_12_a2 phenylethane_12_r2"/>
    <torsion id="phenylethane_12_side" atomRefs4="phenylethane_12_a1 phenylethane_12_a2 phenylethane_12_a3 phenylethane_12_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_12_r1 g:phenylethane_13_r2" moleculeRefs2="g:phenylethane_12 g:phenylethane_13" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="phenylethane_13">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_13_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_13_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_13_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_13_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_13_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_13_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_13_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_13_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_13_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_13_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_13_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_13_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_13_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_13_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_13_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_13_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_13_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_13_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_13_a1_phenylethane_13_a2" atomRefs2="phenylethane_13_a1 phenylethane_13_a2"/>
      <bond order="1" id="phenylethane_13_a1_phenylethane_13_a9" atomRefs2="phenylethane_13_a1 phenylethane_13_a9"/>
      <bond order="1" id="phenylethane_13_a1_phenylethane_13_a10" atomRefs2="phenylethane_13_a1 phenylethane_13_a10"/>
      <bond order="1" id="phenylethane_13_a1_phenylethane_13_r1" atomRefs2="phenylethane_13_a1 phenylethane_13_r1"/>
      <bond order="1" id="phenylethane_13_a2_phenylethane_13_a3" atomRefs2="phenylethane_13_a2 phenylethane_13_a3"/>
      <bond order="1" id="phenylethane_13_a2_phenylethane_13_r2" atomRefs2="phenylethane_13_a2 phenylethane_13_r2"/>
      <bond order="1" id="phenylethane_13_a2_phenylethane_13_a13" atomRefs2="phenylethane_13_a2 phenylethane_13_a13"/>
      <bond order="2" id="phenylethane_13_a3_phenylethane_13_a8" atomRefs2="phenylethane_13_a3 phenylethane_13_a8"/>
      <bond order="1" id="phenylethane_13_a3_phenylethane_13_a4" atomRefs2="phenylethane_13_a3 phenylethane_13_a4"/>
      <bond order="2" id="phenylethane_13_a4_phenylethane_13_a5" atomRefs2="phenylethane_13_a4 phenylethane_13_a5"/>
      <bond order="1" id="phenylethane_13_a4_phenylethane_13_a14" atomRefs2="phenylethane_13_a4 phenylethane_13_a14"/>
      <bond order="1" id="phenylethane_13_a5_phenylethane_13_a6" atomRefs2="phenylethane_13_a5 phenylethane_13_a6"/>
      <bond order="1" id="phenylethane_13_a5_phenylethane_13_a15" atomRefs2="phenylethane_13_a5 phenylethane_13_a15"/>
      <bond order="2" id="phenylethane_13_a6_phenylethane_13_a7" atomRefs2="phenylethane_13_a6 phenylethane_13_a7"/>
      <bond order="1" id="phenylethane_13_a6_phenylethane_13_a16" atomRefs2="phenylethane_13_a6 phenylethane_13_a16"/>
      <bond order="1" id="phenylethane_13_a7_phenylethane_13_a8" atomRefs2="phenylethane_13_a7 phenylethane_13_a8"/>
      <bond order="1" id="phenylethane_13_a7_phenylethane_13_a17" atomRefs2="phenylethane_13_a7 phenylethane_13_a17"/>
      <bond order="1" id="phenylethane_13_a8_phenylethane_13_a18" atomRefs2="phenylethane_13_a8 phenylethane_13_a18"/>
    </bondArray>
    <torsion id="phenylethane_13_main" atomRefs4="phenylethane_13_r1 phenylethane_13_a1 phenylethane_13_a2 phenylethane_13_r2"/>
    <torsion id="phenylethane_13_side" atomRefs4="phenylethane_13_a1 phenylethane_13_a2 phenylethane_13_a3 phenylethane_13_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_13_r1 g:phenylethane_14_r2" moleculeRefs2="g:phenylethane_13 g:phenylethane_14" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="phenylethane_14">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_14_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_14_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_14_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_14_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_14_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_14_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_14_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_14_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_14_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_14_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_14_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_14_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_14_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_14_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_14_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_14_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_14_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_14_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_14_a1_phenylethane_14_a2" atomRefs2="phenylethane_14_a1 phenylethane_14_a2"/>
      <bond order="1" id="phenylethane_14_a1_phenylethane_14_a9" atomRefs2="phenylethane_14_a1 phenylethane_14_a9"/>
      <bond order="1" id="phenylethane_14_a1_phenylethane_14_a10" atomRefs2="phenylethane_14_a1 phenylethane_14_a10"/>
      <bond order="1" id="phenylethane_14_a1_phenylethane_14_r1" atomRefs2="phenylethane_14_a1 phenylethane_14_r1"/>
      <bond order="1" id="phenylethane_14_a2_phenylethane_14_a3" atomRefs2="phenylethane_14_a2 phenylethane_14_a3"/>
      <bond order="1" id="phenylethane_14_a2_phenylethane_14_r2" atomRefs2="phenylethane_14_a2 phenylethane_14_r2"/>
      <bond order="1" id="phenylethane_14_a2_phenylethane_14_a13" atomRefs2="phenylethane_14_a2 phenylethane_14_a13"/>
      <bond order="2" id="phenylethane_14_a3_phenylethane_14_a8" atomRefs2="phenylethane_14_a3 phenylethane_14_a8"/>
      <bond order="1" id="phenylethane_14_a3_phenylethane_14_a4" atomRefs2="phenylethane_14_a3 phenylethane_14_a4"/>
      <bond order="2" id="phenylethane_14_a4_phenylethane_14_a5" atomRefs2="phenylethane_14_a4 phenylethane_14_a5"/>
      <bond order="1" id="phenylethane_14_a4_phenylethane_14_a14" atomRefs2="phenylethane_14_a4 phenylethane_14_a14"/>
      <bond order="1" id="phenylethane_14_a5_phenylethane_14_a6" atomRefs2="phenylethane_14_a5 phenylethane_14_a6"/>
      <bond order="1" id="phenylethane_14_a5_phenylethane_14_a15" atomRefs2="phenylethane_14_a5 phenylethane_14_a15"/>
      <bond order="2" id="phenylethane_14_a6_phenylethane_14_a7" atomRefs2="phenylethane_14_a6 phenylethane_14_a7"/>
      <bond order="1" id="phenylethane_14_a6_phenylethane_14_a16" atomRefs2="phenylethane_14_a6 phenylethane_14_a16"/>
      <bond order="1" id="phenylethane_14_a7_phenylethane_14_a8" atomRefs2="phenylethane_14_a7 phenylethane_14_a8"/>
      <bond order="1" id="phenylethane_14_a7_phenylethane_14_a17" atomRefs2="phenylethane_14_a7 phenylethane_14_a17"/>
      <bond order="1" id="phenylethane_14_a8_phenylethane_14_a18" atomRefs2="phenylethane_14_a8 phenylethane_14_a18"/>
    </bondArray>
    <torsion id="phenylethane_14_main" atomRefs4="phenylethane_14_r1 phenylethane_14_a1 phenylethane_14_a2 phenylethane_14_r2"/>
    <torsion id="phenylethane_14_side" atomRefs4="phenylethane_14_a1 phenylethane_14_a2 phenylethane_14_a3 phenylethane_14_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_14_r1 g:phenylethane_15_r2" moleculeRefs2="g:phenylethane_14 g:phenylethane_15" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="phenylethane_15">
    <atomArray>
      <atom elementType="C" x3="2.74" y3="0.0010" z3="0.725" id="phenylethane_15_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="1.962" y3="-0.0010" z3="-0.592" id="phenylethane_15_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="0.483" y3="-0.0010" z3="-0.302" id="phenylethane_15_a3"/>
      <atom elementType="C" x3="-0.195" y3="1.197" z3="-0.171" id="phenylethane_15_a4"/>
      <atom elementType="C" x3="-1.551" y3="1.197" z3="0.095" id="phenylethane_15_a5"/>
      <atom elementType="C" x3="-2.23" y3="0.0010" z3="0.23" id="phenylethane_15_a6"/>
      <atom elementType="C" x3="-1.552" y3="-1.197" z3="0.098" id="phenylethane_15_a7"/>
      <atom elementType="C" x3="-0.196" y3="-1.197" z3="-0.173" id="phenylethane_15_a8"/>
      <atom elementType="H" x3="2.483" y3="0.892" z3="1.298" id="phenylethane_15_a9"/>
      <atom elementType="H" x3="2.482" y3="-0.888" z3="1.301" id="phenylethane_15_a10"/>
      <atom elementType="R" x3="3.495585113556177" y3="2.9384568826525505E-4" z3="0.5767075945357036" id="phenylethane_15_r1"/>
      <atom elementType="R" x3="2.144213866713569" y3="0.6268609593347394" z3="-0.9988030512675026" id="phenylethane_15_r2"/>
      <atom elementType="H" x3="2.219" y3="-0.892" z3="-1.165" id="phenylethane_15_a13"/>
      <atom elementType="H" x3="0.335" y3="2.132" z3="-0.276" id="phenylethane_15_a14"/>
      <atom elementType="H" x3="-2.081" y3="2.133" z3="0.198" id="phenylethane_15_a15"/>
      <atom elementType="H" x3="-3.29" y3="0.0010" z3="0.438" id="phenylethane_15_a16"/>
      <atom elementType="H" x3="-2.082" y3="-2.132" z3="0.203" id="phenylethane_15_a17"/>
      <atom elementType="H" x3="0.333" y3="-2.133" z3="-0.276" id="phenylethane_15_a18"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="phenylethane_15_a1_phenylethane_15_a2" atomRefs2="phenylethane_15_a1 phenylethane_15_a2"/>
      <bond order="1" id="phenylethane_15_a1_phenylethane_15_a9" atomRefs2="phenylethane_15_a1 phenylethane_15_a9"/>
      <bond order="1" id="phenylethane_15_a1_phenylethane_15_a10" atomRefs2="phenylethane_15_a1 phenylethane_15_a10"/>
      <bond order="1" id="phenylethane_15_a1_phenylethane_15_r1" atomRefs2="phenylethane_15_a1 phenylethane_15_r1"/>
      <bond order="1" id="phenylethane_15_a2_phenylethane_15_a3" atomRefs2="phenylethane_15_a2 phenylethane_15_a3"/>
      <bond order="1" id="phenylethane_15_a2_phenylethane_15_r2" atomRefs2="phenylethane_15_a2 phenylethane_15_r2"/>
      <bond order="1" id="phenylethane_15_a2_phenylethane_15_a13" atomRefs2="phenylethane_15_a2 phenylethane_15_a13"/>
      <bond order="2" id="phenylethane_15_a3_phenylethane_15_a8" atomRefs2="phenylethane_15_a3 phenylethane_15_a8"/>
      <bond order="1" id="phenylethane_15_a3_phenylethane_15_a4" atomRefs2="phenylethane_15_a3 phenylethane_15_a4"/>
      <bond order="2" id="phenylethane_15_a4_phenylethane_15_a5" atomRefs2="phenylethane_15_a4 phenylethane_15_a5"/>
      <bond order="1" id="phenylethane_15_a4_phenylethane_15_a14" atomRefs2="phenylethane_15_a4 phenylethane_15_a14"/>
      <bond order="1" id="phenylethane_15_a5_phenylethane_15_a6" atomRefs2="phenylethane_15_a5 phenylethane_15_a6"/>
      <bond order="1" id="phenylethane_15_a5_phenylethane_15_a15" atomRefs2="phenylethane_15_a5 phenylethane_15_a15"/>
      <bond order="2" id="phenylethane_15_a6_phenylethane_15_a7" atomRefs2="phenylethane_15_a6 phenylethane_15_a7"/>
      <bond order="1" id="phenylethane_15_a6_phenylethane_15_a16" atomRefs2="phenylethane_15_a6 phenylethane_15_a16"/>
      <bond order="1" id="phenylethane_15_a7_phenylethane_15_a8" atomRefs2="phenylethane_15_a7 phenylethane_15_a8"/>
      <bond order="1" id="phenylethane_15_a7_phenylethane_15_a17" atomRefs2="phenylethane_15_a7 phenylethane_15_a17"/>
      <bond order="1" id="phenylethane_15_a8_phenylethane_15_a18" atomRefs2="phenylethane_15_a8 phenylethane_15_a18"/>
    </bondArray>
    <torsion id="phenylethane_15_main" atomRefs4="phenylethane_15_r1 phenylethane_15_a1 phenylethane_15_a2 phenylethane_15_r2"/>
    <torsion id="phenylethane_15_side" atomRefs4="phenylethane_15_a1 phenylethane_15_a2 phenylethane_15_a3 phenylethane_15_a4"/>
    <arg parameterName="main"/>
    <arg parameterName="side"/>
  </molecule>
  <join atomRefs2="g:phenylethane_15_r1 g:acetyl_16_r1" moleculeRefs2="g:phenylethane_15 g:acetyl_16" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="acetyl_16">
    <atomArray>
      <atom elementType="R" xFract="0.853" yFract="0.40329" zFract="0.08749" formalCharge="0" hydrogenCount="0" x3="6.858584288887507" y3="7.368205459562712" z3="1.672120540673427" id="acetyl_16_r1"/>
      <atom elementType="C" x3="7.470354790502688" y3="7.21912165" z3="2.1153032017509776" xFract="0.9966" yFract="0.38915" zFract="0.12895" formalCharge="0" hydrogenCount="0" id="acetyl_16_a71"/>
      <atom elementType="O" x3="7.621770771606594" y3="6.2131009200000005" z3="2.7265105769419966" xFract="1.0168" yFract="0.33492" zFract="0.15894" formalCharge="0" hydrogenCount="0" id="acetyl_16_a72">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="8.407334871591223" y3="8.375034459999998" z3="2.09259931555679" xFract="1.1216" yFract="0.45146" zFract="0.13125" formalCharge="0" hydrogenCount="0" id="acetyl_16_a73"/>
      <atom elementType="H" x3="9.290344900009062" y3="8.0103218" z3="1.9961034580073869" xFract="1.2394" yFract="0.4318" zFract="0.1298" formalCharge="0" hydrogenCount="0" id="acetyl_16_a74"/>
      <atom elementType="H" x3="8.339122721687978" y3="8.830276" z3="2.9353942128717265" xFract="1.1125" yFract="0.476" zFract="0.1716" formalCharge="0" hydrogenCount="0" id="acetyl_16_a75"/>
      <atom elementType="H" x3="8.236429704800676" y3="8.9953799" z3="1.3798877395986096" xFract="1.0988" yFract="0.4849" zFract="0.0963" formalCharge="0" hydrogenCount="0" id="acetyl_16_a76"/>
    </atomArray>
    <bondArray>
      <bond order="S" id="acetyl_16_r1_acetyl_16_a71" atomRefs2="acetyl_16_r1 acetyl_16_a71"/>
      <bond order="D" id="acetyl_16_a71_acetyl_16_a72" atomRefs2="acetyl_16_a71 acetyl_16_a72"/>
      <bond order="S" id="acetyl_16_a71_acetyl_16_a73" atomRefs2="acetyl_16_a71 acetyl_16_a73"/>
      <bond order="S" id="acetyl_16_a73_acetyl_16_a74" atomRefs2="acetyl_16_a73 acetyl_16_a74"/>
      <bond order="S" id="acetyl_16_a73_acetyl_16_a75" atomRefs2="acetyl_16_a73 acetyl_16_a75"/>
      <bond order="S" id="acetyl_16_a73_acetyl_16_a76" atomRefs2="acetyl_16_a73 acetyl_16_a76"/>
    </bondArray>
  </molecule>
</fragment>
