<?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">
  <molecule role="fragment" id="triazene_1">
    <atomArray>
      <atom elementType="N" x3="0.2765492911364054" y3="3.8757572000000002" z3="25.381508959946053" id="triazene_1_a1">
        <label dictRef="cml:torsionEnd">r2</label>
      </atom>
      <atom elementType="C" x3="0.9130440201297267" y3="2.8881300000000003" z3="24.75205498269886" id="triazene_1_a2"> </atom>
      <atom elementType="R" x3="1.413862592327999" y3="3.1385040220730342" z3="24.22347801875486" id="triazene_1_r2"> </atom>
      <atom elementType="N" x3="0.6710034793604291" y3="1.5629880000000003" z3="24.99245916290205" id="triazene_1_a3">
        <label dictRef="cml:torsionEnd">r4</label>
      </atom>
      <atom elementType="C" x3="-0.2506677283610746" y3="1.2254732000000002" z3="25.965836532665875" id="triazene_1_a4"> </atom>
      <atom elementType="R" x3="-0.3812304106029923" y3="0.48743690707544074" z3="26.14234663530017" id="triazene_1_r4"> </atom>
      <atom elementType="N" x3="-0.9274226661160216" y3="2.2244264" z3="26.61004448473895" id="triazene_1_a5">
        <label dictRef="cml:torsionEnd">r6</label>
      </atom>
      <atom elementType="C" x3="-0.638411881791494" y3="3.5031318000000002" z3="26.308615162238905" id="triazene_1_a6">
        <label dictRef="cml:torsionEnd">r5</label>
      </atom>
      <atom elementType="R" x3="-1.0162393566378534" y3="4.057405011259368" z3="26.686672838435875" id="triazene_1_r6"> </atom>
    </atomArray>
    <bondArray>
      <bond order="1" id="triazene_1_a1_triazene_1_a2" atomRefs2="triazene_1_a1 triazene_1_a2"/>
      <bond order="2" id="triazene_1_a2_triazene_1_a3" atomRefs2="triazene_1_a2 triazene_1_a3"/>
      <bond order="1" id="triazene_1_a3_triazene_1_a4" atomRefs2="triazene_1_a3 triazene_1_a4"/>
      <bond order="2" id="triazene_1_a4_triazene_1_a5" atomRefs2="triazene_1_a4 triazene_1_a5"/>
      <bond order="1" id="triazene_1_a5_triazene_1_a6" atomRefs2="triazene_1_a5 triazene_1_a6"/>
      <bond order="2" id="triazene_1_a6_triazene_1_a1" atomRefs2="triazene_1_a6 triazene_1_a1"/>
      <bond order="1" id="triazene_1_r2_triazene_1_a2" atomRefs2="triazene_1_r2 triazene_1_a2"/>
      <bond order="1" id="triazene_1_a4_triazene_1_r4" atomRefs2="triazene_1_a4 triazene_1_r4"/>
      <bond order="1" id="triazene_1_a6_triazene_1_r6" atomRefs2="triazene_1_a6 triazene_1_r6"/>
    </bondArray>
    <join atomRefs2="g:triazene_1_r2 g:po_2_r1" moleculeRefs2="g:triazene_1 g:po_2" order="S">
      <torsion>45</torsion>
      <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>
    <join atomRefs2="g:triazene_1_r4 g:eo_3_r2" moleculeRefs2="g:triazene_1 g:eo_3" order="S">
      <torsion>45</torsion>
      <molecule role="fragment" id="eo_3">
        <atomArray>
          <atom elementType="R" x3="1.0927029508094934" y3="0.019313350096244575" z3="-0.04489307394726355" id="eo_3_r1"/>
          <atom elementType="C" x3="0.703" y3="-0.593" z3="-0.302" id="eo_3_a2"/>
          <atom elementType="C" x3="-0.703" y3="-0.593" z3="0.302" id="eo_3_a3">
            <label dictRef="cml:torsionEnd">r1</label>
            <label dictRef="cml:torsionEnd">r2</label>
          </atom>
          <atom elementType="O" x3="-1.426" y3="0.543" z3="-0.174" id="eo_3_a4"/>
          <atom elementType="H" x3="0.631" y3="-0.548" z3="-1.389" id="eo_3_a6"/>
          <atom elementType="H" x3="1.224" y3="-1.505" z3="-0.01" id="eo_3_a7"/>
          <atom elementType="H" x3="-1.224" y3="-1.505" z3="0.0090" id="eo_3_a8"/>
          <atom elementType="H" x3="-0.631" y3="-0.549" z3="1.389" id="eo_3_a9"/>
          <atom elementType="R" x3="-2.088651624700404" y3="0.5143203169264062" z3="0.1309103147824182" id="eo_3_r2"/>
        </atomArray>
        <bondArray>
          <bond order="1" id="eo_3_r1_eo_3_a2" atomRefs2="eo_3_r1 eo_3_a2"/>
          <bond order="1" id="eo_3_a2_eo_3_a3" atomRefs2="eo_3_a2 eo_3_a3"/>
          <bond order="1" id="eo_3_a2_eo_3_a6" atomRefs2="eo_3_a2 eo_3_a6"/>
          <bond order="1" id="eo_3_a2_eo_3_a7" atomRefs2="eo_3_a2 eo_3_a7"/>
          <bond order="1" id="eo_3_a3_eo_3_a4" atomRefs2="eo_3_a3 eo_3_a4"/>
          <bond order="1" id="eo_3_a3_eo_3_a8" atomRefs2="eo_3_a3 eo_3_a8"/>
          <bond order="1" id="eo_3_a3_eo_3_a9" atomRefs2="eo_3_a3 eo_3_a9"/>
          <bond order="1" id="eo_3_a4_eo_3_r2" atomRefs2="eo_3_a4 eo_3_r2"/>
        </bondArray>
      </molecule>
      <join atomRefs2="g:eo_3_r1 g:cl_4_r1" moleculeRefs2="g:eo_3 g:cl_4" order="S"/>
      <molecule role="fragment" id="cl_4">
        <atomArray>
          <atom elementType="Cl" x3="1.998" y3="-0.064" z3="-0.0" formalCharge="0" hydrogenCount="0" id="cl_4_a1"/>
          <atom title="H" elementType="R" formalCharge="0" hydrogenCount="0" x3="1.195035329805453" y3="0.5150921674650439" z3="0.0" id="cl_4_r1"/>
        </atomArray>
        <bondArray>
          <bond order="S" id="cl_4_a1_cl_4_r1" atomRefs2="cl_4_a1 cl_4_r1"/>
        </bondArray>
      </molecule>
    </join>
  </molecule>
</fragment>
