<?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">
  <!-- PVC as (CH2CH(Cl))n -->
  <molecule role="fragment" id="ch2_1">
    <atomArray>
      <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="ch2_1_r1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="ch2_1_a2"/>
      <atom elementType="R" x3="-0.00448114334248928" y3="-0.593" z3="0.0019250430859626966" id="ch2_1_r2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="H" x3="0.631" y3="-0.548" z3="-1.389" id="ch2_1_a6"/>
      <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="ch2_1_a7"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="ch2_1_r1_ch2_1_a2" atomRefs2="ch2_1_r1 ch2_1_a2"/>
      <bond order="1" id="ch2_1_a2_ch2_1_r2" atomRefs2="ch2_1_a2 ch2_1_r2"/>
      <bond order="1" id="ch2_1_a2_ch2_1_a6" atomRefs2="ch2_1_a2 ch2_1_a6"/>
      <bond order="1" id="ch2_1_a2_ch2_1_a7" atomRefs2="ch2_1_a2 ch2_1_a7"/>
    </bondArray>
  </molecule>
  <join atomRefs2="g:ch2_1_r2 g:ch_2_r1" moleculeRefs2="g:ch2_1 g:ch_2" order="S"/>
  <molecule role="fragment" id="ch_2">
    <atomArray>
      <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="ch_2_r1">
        <label dictRef="cml:torsionEnd">r2</label>
        <label dictRef="cml:torsionEnd">r3</label>
      </atom>
      <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="ch_2_a2"/>
      <atom elementType="R" x3="-0.00448114334248928" y3="-0.593" z3="0.0019250430859626966" id="ch_2_r2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="R" x3="0.652152121010441" y3="-0.5612200756315257" z3="-1.0696617286340366" id="ch_2_r3"/>
      <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="ch_2_a7"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="ch_2_r1_ch_2_a2" atomRefs2="ch_2_r1 ch_2_a2"/>
      <bond order="1" id="ch_2_a2_ch_2_r2" atomRefs2="ch_2_a2 ch_2_r2"/>
      <bond order="1" id="ch_2_a2_ch_2_r3" atomRefs2="ch_2_a2 ch_2_r3"/>
      <bond order="1" id="ch_2_a2_ch_2_a7" atomRefs2="ch_2_a2 ch_2_a7"/>
    </bondArray>
    <join atomRefs2="g:ch_2_r3 g:cl_3_r1" moleculeRefs2="g:ch_2 g:cl_3" order="S">
      <molecule role="fragment" id="cl_3">
        <atomArray>
          <atom elementType="Cl" x3="1.998" y3="-0.064" z3="-0.0" formalCharge="0" hydrogenCount="0" id="cl_3_a1"/>
          <atom title="H" elementType="R" formalCharge="0" hydrogenCount="0" x3="1.195035329805453" y3="0.5150921674650439" z3="0.0" id="cl_3_r1"/>
        </atomArray>
        <bondArray>
          <bond order="S" id="cl_3_a1_cl_3_r1" atomRefs2="cl_3_a1 cl_3_r1"/>
        </bondArray>
      </molecule>
    </join>
  </molecule>
  <join atomRefs2="g:ch_2_r2 g:ch2_4_r1" moleculeRefs2="g:ch_2 g:ch2_4" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="ch2_4">
    <atomArray>
      <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="ch2_4_r1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="ch2_4_a2"/>
      <atom elementType="R" x3="-0.00448114334248928" y3="-0.593" z3="0.0019250430859626966" id="ch2_4_r2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="H" x3="0.631" y3="-0.548" z3="-1.389" id="ch2_4_a6"/>
      <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="ch2_4_a7"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="ch2_4_r1_ch2_4_a2" atomRefs2="ch2_4_r1 ch2_4_a2"/>
      <bond order="1" id="ch2_4_a2_ch2_4_r2" atomRefs2="ch2_4_a2 ch2_4_r2"/>
      <bond order="1" id="ch2_4_a2_ch2_4_a6" atomRefs2="ch2_4_a2 ch2_4_a6"/>
      <bond order="1" id="ch2_4_a2_ch2_4_a7" atomRefs2="ch2_4_a2 ch2_4_a7"/>
    </bondArray>
  </molecule>
  <join atomRefs2="g:ch2_4_r2 g:ch_5_r1" moleculeRefs2="g:ch2_4 g:ch_5" order="S"/>
  <molecule role="fragment" id="ch_5">
    <atomArray>
      <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="ch_5_r1">
        <label dictRef="cml:torsionEnd">r2</label>
        <label dictRef="cml:torsionEnd">r3</label>
      </atom>
      <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="ch_5_a2"/>
      <atom elementType="R" x3="-0.00448114334248928" y3="-0.593" z3="0.0019250430859626966" id="ch_5_r2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="R" x3="0.652152121010441" y3="-0.5612200756315257" z3="-1.0696617286340366" id="ch_5_r3"/>
      <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="ch_5_a7"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="ch_5_r1_ch_5_a2" atomRefs2="ch_5_r1 ch_5_a2"/>
      <bond order="1" id="ch_5_a2_ch_5_r2" atomRefs2="ch_5_a2 ch_5_r2"/>
      <bond order="1" id="ch_5_a2_ch_5_r3" atomRefs2="ch_5_a2 ch_5_r3"/>
      <bond order="1" id="ch_5_a2_ch_5_a7" atomRefs2="ch_5_a2 ch_5_a7"/>
    </bondArray>
    <join atomRefs2="g:ch_5_r3 g:cl_6_r1" moleculeRefs2="g:ch_5 g:cl_6" order="S">
      <molecule role="fragment" id="cl_6">
        <atomArray>
          <atom elementType="Cl" x3="1.998" y3="-0.064" z3="-0.0" formalCharge="0" hydrogenCount="0" id="cl_6_a1"/>
          <atom title="H" elementType="R" formalCharge="0" hydrogenCount="0" x3="1.195035329805453" y3="0.5150921674650439" z3="0.0" id="cl_6_r1"/>
        </atomArray>
        <bondArray>
          <bond order="S" id="cl_6_a1_cl_6_r1" atomRefs2="cl_6_a1 cl_6_r1"/>
        </bondArray>
      </molecule>
    </join>
  </molecule>
  <join atomRefs2="g:ch_5_r2 g:ch2_7_r1" moleculeRefs2="g:ch_5 g:ch2_7" order="S">
    <torsion>180</torsion>
  </join>
  <molecule role="fragment" id="ch2_7">
    <atomArray>
      <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="ch2_7_r1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="ch2_7_a2"/>
      <atom elementType="R" x3="-0.00448114334248928" y3="-0.593" z3="0.0019250430859626966" id="ch2_7_r2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="H" x3="0.631" y3="-0.548" z3="-1.389" id="ch2_7_a6"/>
      <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="ch2_7_a7"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="ch2_7_r1_ch2_7_a2" atomRefs2="ch2_7_r1 ch2_7_a2"/>
      <bond order="1" id="ch2_7_a2_ch2_7_r2" atomRefs2="ch2_7_a2 ch2_7_r2"/>
      <bond order="1" id="ch2_7_a2_ch2_7_a6" atomRefs2="ch2_7_a2 ch2_7_a6"/>
      <bond order="1" id="ch2_7_a2_ch2_7_a7" atomRefs2="ch2_7_a2 ch2_7_a7"/>
    </bondArray>
  </molecule>
  <join atomRefs2="g:ch2_7_r2 g:ch_8_r1" moleculeRefs2="g:ch2_7 g:ch_8" order="S"/>
  <molecule role="fragment" id="ch_8">
    <atomArray>
      <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="ch_8_r1">
        <label dictRef="cml:torsionEnd">r2</label>
        <label dictRef="cml:torsionEnd">r3</label>
      </atom>
      <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="ch_8_a2"/>
      <atom elementType="R" x3="-0.00448114334248928" y3="-0.593" z3="0.0019250430859626966" id="ch_8_r2">
        <label dictRef="cml:torsionEnd">r1</label>
      </atom>
      <atom elementType="R" x3="0.652152121010441" y3="-0.5612200756315257" z3="-1.0696617286340366" id="ch_8_r3"/>
      <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="ch_8_a7"/>
    </atomArray>
    <bondArray>
      <bond order="1" id="ch_8_r1_ch_8_a2" atomRefs2="ch_8_r1 ch_8_a2"/>
      <bond order="1" id="ch_8_a2_ch_8_r2" atomRefs2="ch_8_a2 ch_8_r2"/>
      <bond order="1" id="ch_8_a2_ch_8_r3" atomRefs2="ch_8_a2 ch_8_r3"/>
      <bond order="1" id="ch_8_a2_ch_8_a7" atomRefs2="ch_8_a2 ch_8_a7"/>
    </bondArray>
    <join atomRefs2="g:ch_8_r3 g:cl_9_r1" moleculeRefs2="g:ch_8 g:cl_9" order="S">
      <molecule role="fragment" id="cl_9">
        <atomArray>
          <atom elementType="Cl" x3="1.998" y3="-0.064" z3="-0.0" formalCharge="0" hydrogenCount="0" id="cl_9_a1"/>
          <atom title="H" elementType="R" formalCharge="0" hydrogenCount="0" x3="1.195035329805453" y3="0.5150921674650439" z3="0.0" id="cl_9_r1"/>
        </atomArray>
        <bondArray>
          <bond order="S" id="cl_9_a1_cl_9_r1" atomRefs2="cl_9_a1 cl_9_r1"/>
        </bondArray>
      </molecule>
    </join>
  </molecule>
</fragment>
