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

       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 xmlns="http://www.xml-cml.org/schema" 
  id="adgluc">
 <atomArray>
  <atom id="a1" elementType="C" x3="1.583000" y3="0.519000" z3="0.522000"/>
  <atom id="a2" elementType="H" x3="1.640000" y3="0.340000" z3="1.595000"/>
  <atom id="a3" elementType="O" x3="2.844000" y3="0.997000" z3="0.049000"/>
  <atom id="a4" elementType="C" x3="0.500000" y3="1.560000" z3="0.232000"/>
  <atom id="a5" elementType="H" x3="0.760000" y3="2.499000" z3="0.721000"/>
  <atom id="r1" elementType="R" x3="0.406000" y3="1.769000" z3="-1.178000"/>
  <atom id="a7" elementType="O" x3="-0.757000" y3="1.100000" z3="0.727000"/>
  <atom id="a8" elementType="C" x3="-1.145000" y3="-0.025000" z3="-0.060000"/>
  <atom id="a9" elementType="H" x3="-1.105000" y3="0.242000" z3="-1.116000"/>
  <atom id="a10" elementType="C" x3="-2.572000" y3="-0.435000" z3="0.308000"/>
  <atom id="a11" elementType="O" x3="-3.476000" y3="0.610000" z3="-0.053000"/>
  <atom id="a12" elementType="C" x3="-0.196000" y3="-1.195000" z3="0.205000"/>
  <atom id="a13" elementType="H" x3="-0.216000" y3="-1.449000" z3="1.265000"/>
  <atom id="a14" elementType="O" x3="-0.606000" y3="-2.327000" z3="-0.565000"/>
  <atom id="a15" elementType="C" x3="1.228000" y3="-0.788000" z3="-0.198000"/>
  <atom id="a16" elementType="H" x3="1.274000" y3="-0.636000" z3="-1.276000"/>
  <atom id="a17" elementType="O" x3="2.147000" y3="-1.815000" z3="0.181000"/>
  <atom id="a18" elementType="H" x3="3.027000" y3="1.819000" z3="0.524000"/>
  <atom id="a20" elementType="H" x3="-2.837000" y3="-1.347000" z3="-0.227000"/>
  <atom id="a21" elementType="H" x3="-2.633000" y3="-0.614000" z3="1.382000"/>
  <atom id="a22" elementType="H" x3="-4.362000" y3="0.312000" z3="0.195000"/>
  <atom id="r2" elementType="R" x3="0.018000" y3="-3.040000" z3="-0.368000"/>
  <atom id="a24" elementType="H" x3="3.026000" y3="-1.517000" z3="-0.090000"/>
 </atomArray>
 <bondArray>
  <bond atomRefs2="a1 a2" order="1"/>
  <bond atomRefs2="a1 a15" order="1"/>
  <bond atomRefs2="a1 a3" order="1"/>
  <bond atomRefs2="a1 a4" order="1"/>
  <bond atomRefs2="a3 a18" order="1"/>
  <bond atomRefs2="a4 a5" order="1"/>
  <bond atomRefs2="a4 r1" order="1"/>
  <bond atomRefs2="a4 a7" order="1"/>
  <bond atomRefs2="a7 a8" order="1"/>
  <bond atomRefs2="a8 a9" order="1"/>
  <bond atomRefs2="a8 a10" order="1"/>
  <bond atomRefs2="a8 a12" order="1"/>
  <bond atomRefs2="a10 a11" order="1"/>
  <bond atomRefs2="a10 a20" order="1"/>
  <bond atomRefs2="a10 a21" order="1"/>
  <bond atomRefs2="a11 a22" order="1"/>
  <bond atomRefs2="a12 a13" order="1"/>
  <bond atomRefs2="a12 a14" order="1"/>
  <bond atomRefs2="a12 a15" order="1"/>
  <bond atomRefs2="a14 r2" order="1"/>
  <bond atomRefs2="a15 a16" order="1"/>
  <bond atomRefs2="a15 a17" order="1"/>
  <bond atomRefs2="a17 a24" order="1"/>
 </bondArray>
 <torsion atomRefs4="a15 a12 a14 r2" id="tau"/>
</molecule>
