<!--

       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.

-->

<reaction xmlns="http://www.xml-cml.org/schema">
  <reactantList>
    <reactant id="reactant0">
      <molecule cmlx:explicitHydrogens="true" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx">
        <atomArray>
          <atom id="a1" elementType="C"/>
          <atom id="a2" elementType="C"/>
          <atom id="a3" elementType="C"/>
          <atom id="a4" elementType="C"/>
          <atom id="a5" elementType="C"/>
          <atom id="a6" elementType="C"/>
          <atom id="a7" elementType="C"/>
          <atom id="a8" elementType="O"/>
          <atom id="a9" elementType="O"/>
          <atom id="a10" elementType="C"/>
          <atom id="a11" elementType="O"/>
          <atom id="a12" elementType="C"/>
          <atom id="a1_h1" elementType="H"/>
          <atom id="a1_h2" elementType="H"/>
          <atom id="a2_h1" elementType="H"/>
          <atom id="a2_h2" elementType="H"/>
          <atom id="a3_h1" elementType="H"/>
          <atom id="a3_h2" elementType="H"/>
          <atom id="a4_h1" elementType="H"/>
          <atom id="a4_h2" elementType="H"/>
          <atom id="a5_h1" elementType="H"/>
          <atom id="a5_h2" elementType="H"/>
          <atom id="a6_h1" elementType="H"/>
          <atom id="a12_h1" elementType="H"/>
          <atom id="a12_h2" elementType="H"/>
          <atom id="a12_h3" elementType="H"/>
        </atomArray>
        <bondArray>
          <bond atomRefs2="a1 a2" id="a1_a2" order="1"/>
          <bond atomRefs2="a2 a3" id="a2_a3" order="1"/>
          <bond atomRefs2="a3 a4" id="a3_a4" order="1"/>
          <bond atomRefs2="a4 a5" id="a4_a5" order="1"/>
          <bond atomRefs2="a5 a6" id="a5_a6" order="1"/>
          <bond atomRefs2="a1 a6" id="a1_a6" order="1"/>
          <bond atomRefs2="a6 a7" id="a6_a7" order="1"/>
          <bond atomRefs2="a7 a8" id="a7_a8" order="2"/>
          <bond atomRefs2="a7 a9" id="a7_a9" order="1"/>
          <bond atomRefs2="a9 a10" id="a9_a10" order="1"/>
          <bond atomRefs2="a10 a11" id="a10_a11" order="2"/>
          <bond atomRefs2="a10 a12" id="a10_a12" order="1"/>
          <bond atomRefs2="a1 a1_h1" id="a1_a1_h1" order="1"/>
          <bond atomRefs2="a1 a1_h2" id="a1_a1_h2" order="1"/>
          <bond atomRefs2="a2 a2_h1" id="a2_a2_h1" order="1"/>
          <bond atomRefs2="a2 a2_h2" id="a2_a2_h2" order="1"/>
          <bond atomRefs2="a3 a3_h1" id="a3_a3_h1" order="1"/>
          <bond atomRefs2="a3 a3_h2" id="a3_a3_h2" order="1"/>
          <bond atomRefs2="a4 a4_h1" id="a4_a4_h1" order="1"/>
          <bond atomRefs2="a4 a4_h2" id="a4_a4_h2" order="1"/>
          <bond atomRefs2="a5 a5_h1" id="a5_a5_h1" order="1"/>
          <bond atomRefs2="a5 a5_h2" id="a5_a5_h2" order="1"/>
          <bond atomRefs2="a6 a6_h1" id="a6_a6_h1" order="1"/>
          <bond atomRefs2="a12 a12_h1" id="a12_a12_h1" order="1"/>
          <bond atomRefs2="a12 a12_h2" id="a12_a12_h2" order="1"/>
          <bond atomRefs2="a12 a12_h3" id="a12_a12_h3" order="1"/>
        </bondArray>
      </molecule>
      <amount units="units:mol">0.0020</amount>
    </reactant>
    <reactant id="reactant1">
      <molecule cmlx:explicitHydrogens="true" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx">
        <atomArray>
          <atom id="a1" elementType="C"/>
          <atom id="a2" elementType="C"/>
          <atom id="a3" elementType="C"/>
          <atom id="a4" elementType="N"/>
          <atom id="a1_h1" elementType="H"/>
          <atom id="a1_h2" elementType="H"/>
          <atom id="a1_h3" elementType="H"/>
          <atom id="a2_h1" elementType="H"/>
          <atom id="a3_h1" elementType="H"/>
          <atom id="a3_h2" elementType="H"/>
          <atom id="a3_h3" elementType="H"/>
          <atom id="a4_h1" elementType="H"/>
          <atom id="a4_h2" elementType="H"/>
        </atomArray>
        <bondArray>
          <bond atomRefs2="a1 a2" id="a1_a2" order="1"/>
          <bond atomRefs2="a2 a3" id="a2_a3" order="1"/>
          <bond atomRefs2="a2 a4" id="a2_a4" order="1"/>
          <bond atomRefs2="a1 a1_h1" id="a1_a1_h1" order="1"/>
          <bond atomRefs2="a1 a1_h2" id="a1_a1_h2" order="1"/>
          <bond atomRefs2="a1 a1_h3" id="a1_a1_h3" order="1"/>
          <bond atomRefs2="a2 a2_h1" id="a2_a2_h1" order="1"/>
          <bond atomRefs2="a3 a3_h1" id="a3_a3_h1" order="1"/>
          <bond atomRefs2="a3 a3_h2" id="a3_a3_h2" order="1"/>
          <bond atomRefs2="a3 a3_h3" id="a3_a3_h3" order="1"/>
          <bond atomRefs2="a4 a4_h1" id="a4_a4_h1" order="1"/>
          <bond atomRefs2="a4 a4_h2" id="a4_a4_h2" order="1"/>
        </bondArray>
      </molecule>
      <amount units="units:mol">0.0015</amount>
    </reactant>
  </reactantList>
  <productList>
    <product id="product0">
      <molecule cmlx:explicitHydrogens="true" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx">
        <atomArray>
          <atom id="a1" elementType="C"/>
          <atom id="a2" elementType="C"/>
          <atom id="a3" elementType="C"/>
          <atom id="a4" elementType="C"/>
          <atom id="a5" elementType="C"/>
          <atom id="a6" elementType="C"/>
          <atom id="a7" elementType="C"/>
          <atom id="a8" elementType="O"/>
          <atom id="a9" elementType="N"/>
          <atom id="a10" elementType="C"/>
          <atom id="a11" elementType="C"/>
          <atom id="a12" elementType="C"/>
          <atom id="a1_h1" elementType="H"/>
          <atom id="a1_h2" elementType="H"/>
          <atom id="a2_h1" elementType="H"/>
          <atom id="a2_h2" elementType="H"/>
          <atom id="a3_h1" elementType="H"/>
          <atom id="a3_h2" elementType="H"/>
          <atom id="a4_h1" elementType="H"/>
          <atom id="a4_h2" elementType="H"/>
          <atom id="a5_h1" elementType="H"/>
          <atom id="a5_h2" elementType="H"/>
          <atom id="a6_h1" elementType="H"/>
          <atom id="a9_h1" elementType="H"/>
          <atom id="a10_h1" elementType="H"/>
          <atom id="a11_h1" elementType="H"/>
          <atom id="a11_h2" elementType="H"/>
          <atom id="a11_h3" elementType="H"/>
          <atom id="a12_h1" elementType="H"/>
          <atom id="a12_h2" elementType="H"/>
          <atom id="a12_h3" elementType="H"/>
        </atomArray>
        <bondArray>
          <bond atomRefs2="a1 a2" id="a1_a2" order="1"/>
          <bond atomRefs2="a2 a3" id="a2_a3" order="1"/>
          <bond atomRefs2="a3 a4" id="a3_a4" order="1"/>
          <bond atomRefs2="a4 a5" id="a4_a5" order="1"/>
          <bond atomRefs2="a5 a6" id="a5_a6" order="1"/>
          <bond atomRefs2="a1 a6" id="a1_a6" order="1"/>
          <bond atomRefs2="a6 a7" id="a6_a7" order="1"/>
          <bond atomRefs2="a7 a8" id="a7_a8" order="2"/>
          <bond atomRefs2="a7 a9" id="a7_a9" order="1"/>
          <bond atomRefs2="a9 a10" id="a9_a10" order="1"/>
          <bond atomRefs2="a10 a11" id="a10_a11" order="1"/>
          <bond atomRefs2="a10 a12" id="a10_a12" order="1"/>
          <bond atomRefs2="a1 a1_h1" id="a1_a1_h1" order="1"/>
          <bond atomRefs2="a1 a1_h2" id="a1_a1_h2" order="1"/>
          <bond atomRefs2="a2 a2_h1" id="a2_a2_h1" order="1"/>
          <bond atomRefs2="a2 a2_h2" id="a2_a2_h2" order="1"/>
          <bond atomRefs2="a3 a3_h1" id="a3_a3_h1" order="1"/>
          <bond atomRefs2="a3 a3_h2" id="a3_a3_h2" order="1"/>
          <bond atomRefs2="a4 a4_h1" id="a4_a4_h1" order="1"/>
          <bond atomRefs2="a4 a4_h2" id="a4_a4_h2" order="1"/>
          <bond atomRefs2="a5 a5_h1" id="a5_a5_h1" order="1"/>
          <bond atomRefs2="a5 a5_h2" id="a5_a5_h2" order="1"/>
          <bond atomRefs2="a6 a6_h1" id="a6_a6_h1" order="1"/>
          <bond atomRefs2="a9 a9_h1" id="a9_a9_h1" order="1"/>
          <bond atomRefs2="a10 a10_h1" id="a10_a10_h1" order="1"/>
          <bond atomRefs2="a11 a11_h1" id="a11_a11_h1" order="1"/>
          <bond atomRefs2="a11 a11_h2" id="a11_a11_h2" order="1"/>
          <bond atomRefs2="a11 a11_h3" id="a11_a11_h3" order="1"/>
          <bond atomRefs2="a12 a12_h1" id="a12_a12_h1" order="1"/>
          <bond atomRefs2="a12 a12_h2" id="a12_a12_h2" order="1"/>
          <bond atomRefs2="a12 a12_h3" id="a12_a12_h3" order="1"/>
        </bondArray>
      </molecule>
      <amount units="units:mol">0.0010</amount>
    </product>
    <product id="product1">
      <molecule cmlx:explicitHydrogens="true" xmlns:cmlx="http://www.xml-cml.org/schema/cmlx">
        <atomArray>
          <atom id="a1" elementType="C"/>
          <atom id="a2" elementType="C"/>
          <atom id="a3" elementType="O"/>
          <atom id="a4" elementType="O"/>
          <atom id="a1_h1" elementType="H"/>
          <atom id="a1_h2" elementType="H"/>
          <atom id="a1_h3" elementType="H"/>
          <atom id="a4_h1" elementType="H"/>
        </atomArray>
        <bondArray>
          <bond atomRefs2="a1 a2" id="a1_a2" order="1"/>
          <bond atomRefs2="a2 a3" id="a2_a3" order="2"/>
          <bond atomRefs2="a2 a4" id="a2_a4" order="1"/>
          <bond atomRefs2="a1 a1_h1" id="a1_a1_h1" order="1"/>
          <bond atomRefs2="a1 a1_h2" id="a1_a1_h2" order="1"/>
          <bond atomRefs2="a1 a1_h3" id="a1_a1_h3" order="1"/>
          <bond atomRefs2="a4 a4_h1" id="a4_a4_h1" order="1"/>
        </bondArray>
      </molecule>
    </product>
  </productList>
</reaction>
