<?xml version="1.0" encoding="ISO-8859-1"?>
<!--

       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="m1" xmlns="http://www.xml-cml.org/schema">
  <atomArray>
    <atom id="a11" elementType="C" x3="4.23738697216111" y3="2.3920512000000005" z3="21.31402370707645" xFract="0.8841" yFract="0.2112" zFract="0.64282" formalCharge="0" hydrogenCount="0"/>
    <atom id="a8" title="H" elementType="Du" x3="4.368711938835936" y3="0.9094778000000002" z3="21.406892605144424" xFract="0.9115" yFract="0.0803" zFract="0.64566" formalCharge="0" hydrogenCount="0"/>
    <atom id="a35" elementType="N" x3="4.935709878895499" y3="3.1406998000000006" z3="20.531318018846655" xFract="1.0298" yFract="0.2773" zFract="0.61951" formalCharge="0" hydrogenCount="0"/>
    <atom id="a37" elementType="N" x3="3.3329701396231597" y3="3.1361694" z3="22.0276525819149" xFract="0.6954" yFract="0.2769" zFract="0.66398" formalCharge="0" hydrogenCount="0"/>
    <atom id="a38" title="H" elementType="Du" x3="2.4625827692527746" y3="2.5619412" z3="22.94793103815053" xFract="0.5138" yFract="0.2262" zFract="0.69137" formalCharge="0" hydrogenCount="0"/>
    <atom id="a12" elementType="C" x3="3.4269106267336196" y3="4.4715048" z3="21.645055577321187" xFract="0.715" yFract="0.3948" zFract="0.6525" formalCharge="0" hydrogenCount="0"/>
    <atom id="a40" elementType="O" x3="2.779871557350349" y3="5.445540800000001" z3="21.96689344202278" xFract="0.58" yFract="0.4808" zFract="0.66196" formalCharge="0" hydrogenCount="0"/>
    <atom id="a36" elementType="N" x3="4.4573802557514215" y3="4.4262008" z3="20.74985175427791" xFract="0.93" yFract="0.3908" zFract="0.62592" formalCharge="0" hydrogenCount="0"/>
    <atom id="a24" title="H" elementType="Du" x3="4.93139628509961" y3="5.5531378" z3="19.989337480078" xFract="1.0289" yFract="0.4903" zFract="0.6032" formalCharge="0" hydrogenCount="0"/>
  </atomArray>
  <bondArray>
    <bond id="a8-a11" atomRefs2="a8 a11" order="S"/>
    <bond id="a11-a35" atomRefs2="a11 a35" order="D"/>
    <bond id="a11-a37" atomRefs2="a11 a37" order="S"/>
    <bond id="a35-a36" atomRefs2="a35 a36" order="S"/>
    <bond id="a12-a37" atomRefs2="a12 a37" order="S"/>
    <bond id="a37-a38" atomRefs2="a37 a38" order="S"/>
    <bond id="a12-a36" atomRefs2="a12 a36" order="S"/>
    <bond id="a12-a40" atomRefs2="a12 a40" order="D"/>
    <bond id="a24-a36" atomRefs2="a24 a36" order="S"/>
  </bondArray>
</molecule>
