<?xml version="1.0" standalone="yes"?>
<!--

       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.

-->

<cml title="join1: example"
   xmlns="http://www.xml-cml.org/schema"
   xsi:schemaLocation="http://www.xml-cml.org/schema ../../schema.xsd" 
   xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
>
  <molecule id="methyl">
    <atomArray>
      <atom id="methyl_a1" elementType="C" hydrogenCount="3"/>
      <atom id="methyl_r1" elementType="R"/>
    </atomArray>
    <bondArray>
      <bond atomRefs2="methyl_a1 methyl_r1" order="1"/>
    </bondArray>
  </molecule>

   <molecule id="acetate">
    <atomArray>
      <atom id="acetate_a1" elementType="C" hydrogenCount="3"/>
      <atom id="acetate_a2" elementType="C" hydrogenCount="0"/>
      <atom id="acetate_a3" elementType="O" hydrogenCount="0"/>
      <atom id="acetate_a4" elementType="O" hydrogenCount="0"/>
      <atom id="acetate_r1" elementType="R"/>
    </atomArray>
    <bondArray>
      <bond atomRefs2="acetate_a1 acetate_a2" order="1"/>
      <bond atomRefs2="acetate_a2 acetate_a3" order="2"/>
      <bond atomRefs2="acetate_a2 acetate_a4" order="1"/>
      <bond atomRefs2="acetate_a4 acetate_r1" order="1"/>
    </bondArray>
  </molecule>

  <molecule title="methyl acetate" id="methyl_acetate">
  <!--
    <molecule ref="methyl"  copy="1"/>
    <molecule ref="acetate" copy="1"/>
    -->
    <join id="acetate_r1_methyl_r1" atomRefs2="acetate_r1 methyl_r1" order="1"/> 
  </molecule>
  
</cml>

