<!--

       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.

-->

        <molecule id='polypropylene_oxide' xmlns='http://www.xml-cml.org/schema'>
        <atomArray>
         <atom id='oh1_a1' elementType='O' hydrogenCount='1'/>
         <atom elementType='C' hydrogenCount='2' id='prop1_a1'/>
         <atom elementType='C' hydrogenCount='1' id='prop1_a2'/>
         <atom elementType='C' hydrogenCount='3' id='prop1_a3'/>
         <atom elementType='O' hydrogenCount='0' id='prop1_a4'/>
         <atom elementType='C' hydrogenCount='2' id='prop2_a1'/>
         <atom elementType='C' hydrogenCount='1' id='prop2_a2'/>
         <atom elementType='C' hydrogenCount='3' id='prop2_a3'/>
         <atom elementType='O' hydrogenCount='0' id='prop2_a4'/>
         <atom elementType='C' hydrogenCount='2' id='prop3_a1'/>
         <atom elementType='C' hydrogenCount='1' id='prop3_a2'/>
         <atom elementType='C' hydrogenCount='3' id='prop3_a3'/>
         <atom elementType='O' hydrogenCount='0' id='prop3_a4'/>
         <atom id='h1_a1' elementType='H'/>
        </atomArray>
        <bondArray>
         <bond order='1' id='prop1_a1_prop1_a2' atomRefs2='prop1_a1 prop1_a2'/>
         <bond order='1' id='prop1_a2_prop1_a3' atomRefs2='prop1_a2 prop1_a3'/>
         <bond order='1' id='prop1_a2_prop1_a4' atomRefs2='prop1_a2 prop1_a4'/>
         <bond order='1' id='prop2_a1_prop2_a2' atomRefs2='prop2_a1 prop2_a2'/>
         <bond order='1' id='prop2_a2_prop2_a3' atomRefs2='prop2_a2 prop2_a3'/>
         <bond order='1' id='prop2_a2_prop2_a4' atomRefs2='prop2_a2 prop2_a4'/>
         <bond order='1' id='prop3_a1_prop3_a2' atomRefs2='prop3_a1 prop3_a2'/>
         <bond order='1' id='prop3_a2_prop3_a3' atomRefs2='prop3_a2 prop3_a3'/>
         <bond order='1' id='prop3_a2_prop3_a4' atomRefs2='prop3_a2 prop3_a4'/>
         <bond atomRefs2='prop1_a4 prop2_a1' id='prop1_r2_prop2_r1' order='1'/>
         <bond atomRefs2='prop2_a4 prop3_a1' id='prop2_r2_prop3_r1' order='1'/>
         <bond atomRefs2='oh1_a1 prop1_a1' id='oh1_r1_prop1_r1' order='1'/>
         <bond atomRefs2='prop3_a4 h1_a1' id='prop3_r2_h1_r1' order='1'/>
        </bondArray>
        <length atomRefs2='prop1_a1 prop1_a2'>1.54</length>
        <length atomRefs2='prop1_a2 prop1_a3'>1.54</length>
        <angle atomRefs3='prop1_a4 prop1_a2 prop1_a3'>111</angle>
        <length atomRefs2='prop1_a2 prop1_a4'>1.40</length>
        <angle atomRefs3='prop1_a1 prop1_a2 prop1_a4'>111</angle>
        <torsion atomRefs4='prop1_a1 prop1_a4 prop1_a2 prop1_a3'>120</torsion>
        <length atomRefs2='prop2_a1 prop2_a2'>1.54</length>
        <length atomRefs2='prop2_a2 prop2_a3'>1.54</length>
        <angle atomRefs3='prop2_a4 prop2_a2 prop2_a3'>111</angle>
        <length atomRefs2='prop2_a2 prop2_a4'>1.40</length>
        <angle atomRefs3='prop2_a1 prop2_a2 prop2_a4'>111</angle>
        <torsion atomRefs4='prop2_a1 prop2_a4 prop2_a2 prop2_a3'>120</torsion>
        <length atomRefs2='prop3_a1 prop3_a2'>1.54</length>
        <length atomRefs2='prop3_a2 prop3_a3'>1.54</length>
        <angle atomRefs3='prop3_a4 prop3_a2 prop3_a3'>111</angle>
        <length atomRefs2='prop3_a2 prop3_a4'>1.40</length>
        <angle atomRefs3='prop3_a1 prop3_a2 prop3_a4'>111</angle>
        <torsion atomRefs4='prop3_a1 prop3_a4 prop3_a2 prop3_a3'>120</torsion>
        <angle atomRefs3='prop1_a2 prop1_a4 prop2_a1'>105</angle>
        <length atomRefs2='prop1_a4 prop2_a1'>1.40</length>
        <angle atomRefs3='prop1_a4 prop2_a1 prop2_a2'>105</angle>
        <torsion atomRefs4='prop1_a1 prop1_a2 prop1_a4 prop2_a1'>140</torsion>
        <torsion atomRefs4='prop1_a2 prop1_a4 prop2_a1 prop2_a2'>140</torsion>
        <torsion atomRefs4='prop1_a4 prop2_a1 prop2_a2 prop2_a4'>-140</torsion>
        <angle atomRefs3='prop2_a2 prop2_a4 prop3_a1'>105</angle>
        <length atomRefs2='prop2_a4 prop3_a1'>1.40</length>
        <angle atomRefs3='prop2_a4 prop3_a1 prop3_a2'>105</angle>
        <torsion atomRefs4='prop2_a1 prop2_a2 prop2_a4 prop3_a1'>160</torsion>
        <torsion atomRefs4='prop2_a2 prop2_a4 prop3_a1 prop3_a2'>160</torsion>
        <torsion atomRefs4='prop2_a4 prop3_a1 prop3_a2 prop3_a4'>-140</torsion>
        <length atomRefs2='oh1_a1 prop1_a1'>1.40</length>
        <angle atomRefs3='oh1_a1 prop1_a1 prop1_a2'>105</angle>
        <torsion atomRefs4='oh1_a1 prop1_a1 prop1_a2 prop1_a4'>90</torsion>
        <length atomRefs2='prop3_a4 h1_a1'>1.10</length>
        <angle atomRefs3='prop3_a2 prop3_a4 h1_a1'>105</angle>
        <torsion atomRefs4='prop3_a1 prop3_a2 prop3_a4 h1_a1'>60</torsion>
        </molecule>
