<?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 id="br_oh_methyl" convention="cml:PML-complete" xmlns:g="http://www.xml-cml.org/mols/geom1" xmlns="http://www.xml-cml.org/schema">
  <molecule role="fragment" id="benzene_1">
    <atomArray>
      <atom elementType="C" x3="9.526706134000763" y3="3.869733600000001" z3="5.213518402229052" id="benzene_1_a1">
        <label dictRef="cml:torsionEnd">r6</label>
      </atom> 
      <atom elementType="C" x3="10.243299413197152" y3="3.932398500000001" z3="6.439022942911609" id="benzene_1_a2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="C" x3="8.713504556428543" y3="2.7185301000000006" z3="5.01720505576243" id="benzene_1_a6">
        <label dictRef="cml:torsionEnd">r5</label>
      </atom>
      <atom elementType="R" x3="8.385888936961882" y3="2.655387420737078" z3="4.323244676535362" id="benzene_1_r6"/>
      <atom elementType="C" x3="10.119474056141831" y3="2.9008920000000007" z3="7.3834992125284815" id="benzene_1_a3">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom> 
      <atom elementType="C" x3="9.320371405363035" y3="1.8151698000000005" z3="7.151684115065878" id="benzene_1_a4">
        <label dictRef="cml:torsionEnd">r3</label>
      </atom>
      <atom elementType="R" x3="9.280916015724046" y3="1.2657016684721403" z3="7.6896692864820775" id="benzene_1_r4"/>
      <atom elementType="C" x3="8.610030693701125" y3="1.7243409000000007" z3="5.934289686115539" id="benzene_1_a5">
        <label dictRef="cml:torsionEnd">r4</label>
      </atom> 
      <atom elementType="R" x3="10.697234803620145" y3="4.543958438540135" z3="6.552323882423661" id="benzene_1_r2"/>
      <atom elementType="Br" formalCharge="0" hydrogenCount="0" id="br_2_a1" x3="9.706100563536022" y3="5.260706931164985" z3="3.9169418211357847"/>
      <atom elementType="O" id="oh_3_a5" x3="10.879047397455942" y3="2.991796988863649" z3="8.673764542669774"/>
      <atom elementType="H" id="oh_3_a11" x3="11.351666200930024" y3="2.219030540881598" z3="9.010662870768817"/>
      <atom elementType="C" id="me_4_a1" x3="7.720415546204135" y3="0.5004327093517826" z3="5.6475256189660525"/>
      <atom elementType="H" id="me_4_a6" x3="7.8973212132921615" y3="0.15287314794224827" z3="4.629221766363621">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="H" id="me_4_a7" x3="7.962448186970064" y3="-0.2976542125451189" z3="6.350030754819878"/>
      <atom elementType="H" id="me_4_a8" x3="6.673285676722817" y3="0.7788619666709824" z3="5.760051994135236"/>
    </atomArray>
    <bondArray> 
      <bond order="2" id="benzene_1_a1_benzene_1_a2" atomRefs2="benzene_1_a1 benzene_1_a2"/>
      <bond order="1" id="benzene_1_a1_benzene_1_a6" atomRefs2="benzene_1_a1 benzene_1_a6"/>
      <bond order="1" id="benzene_1_a3_benzene_1_a2" atomRefs2="benzene_1_a3 benzene_1_a2"/>
      <bond order="1" id="benzene_1_a2_benzene_1_r2" atomRefs2="benzene_1_a2 benzene_1_r2"/>
      <bond order="1" id="benzene_1_r6_benzene_1_a6" atomRefs2="benzene_1_r6 benzene_1_a6"/>
      <bond order="2" id="benzene_1_a5_benzene_1_a6" atomRefs2="benzene_1_a5 benzene_1_a6"/> 
      <bond order="2" id="benzene_1_a3_benzene_1_a4" atomRefs2="benzene_1_a3 benzene_1_a4"/>
      <bond order="1" id="benzene_1_a5_benzene_1_a4" atomRefs2="benzene_1_a5 benzene_1_a4"/>
      <bond order="1" id="benzene_1_a4_benzene_1_r4" atomRefs2="benzene_1_a4 benzene_1_r4"/> 
      <bond atomRefs2="benzene_1_a1 br_2_a1" order="S" id="benzene_1_a1_br_2_a1"/>
      <bond order="1" id="oh_3_a5_oh_3_a11" atomRefs2="oh_3_a5 oh_3_a11"/>
      <bond atomRefs2="benzene_1_a3 oh_3_a5" order="S" id="benzene_1_a3_oh_3_a5"/>
      <bond order="1" id="me_4_a1_me_4_a6" atomRefs2="me_4_a1 me_4_a6"/>
      <bond order="1" id="me_4_a1_me_4_a7" atomRefs2="me_4_a1 me_4_a7"/>
      <bond order="1" id="me_4_a1_me_4_a8" atomRefs2="me_4_a1 me_4_a8"/>
      <bond atomRefs2="benzene_1_a5 me_4_a1" order="S" id="benzene_1_a5_me_4_a1"/>
    </bondArray>
  </molecule>
</fragment>
