<?xml version="1.0"?>
<cml:molecule id="output-0" xmlns:cml="http://www.xml-cml.org/schema">
 <cml:atomArray>
  <cml:atom id="a1" elementType="C" x3="-2.961649" y3="-0.668315" z3="0.060858"/>
  <cml:atom id="a2" elementType="N" x3="-3.968146" y3="-1.540512" z3="-0.129099"/>
  <cml:atom id="a3" elementType="N" x3="-2.465747" y3="-0.444985" z3="1.261391"/>
  <cml:atom id="a4" elementType="N" x3="-2.484427" y3="0.004631" z3="-0.989089"/>
  <cml:atom id="a5" elementType="H" x3="-4.252161" y3="-2.147550" z3="0.620294"/>
  <cml:atom id="a6" elementType="H" x3="-4.232577" y3="-1.815546" z3="-1.059436"/>
  <cml:atom id="a7" elementType="H" x3="-2.823484" y3="-0.193698" z3="-1.913872"/>
  <cml:atom id="a8" elementType="H" x3="-1.690523" y3="0.643831" z3="-0.890312"/>
  <cml:atom id="a9" elementType="H" x3="-1.681541" y3="0.307339" z3="1.421286"/>
  <cml:atom id="a10" elementType="H" x3="-2.850470" y3="-0.955643" z3="2.038641"/>
  <cml:atom id="a11" elementType="C" x3="0.685072" y3="1.283414" z3="0.160543"/>
  <cml:atom id="a12" elementType="O" x3="1.596699" y3="2.037440" z3="0.497301"/>
  <cml:atom id="a13" elementType="C" x3="0.893548" y3="-0.243301" z3="0.008199"/>
  <cml:atom id="a14" elementType="H" x3="-0.064429" y3="-0.728363" z3="0.211580"/>
  <cml:atom id="a15" elementType="O" x3="-0.223025" y3="1.714327" z3="-0.832428"/>
  <cml:atom id="a16" elementType="O" spinMultiplicity="2" x3="-0.643701" y3="1.350805" z3="1.498023"/>
  <cml:atom id="a17" elementType="C" x3="-0.476201" y3="3.107781" z3="-0.839134"/>
  <cml:atom id="a18" elementType="H" x3="0.434960" y3="3.670566" z3="-1.052124"/>
  <cml:atom id="a19" elementType="H" x3="-1.210025" y3="3.284566" z3="-1.625851"/>
  <cml:atom id="a20" elementType="H" x3="-0.879111" y3="3.415391" z3="0.128063"/>
  <cml:atom id="a21" elementType="H" x3="-0.160670" y3="1.342505" z3="2.323861"/>
  <cml:atom id="a22" elementType="C" x3="1.246239" y3="-0.549328" z3="-1.484620"/>
  <cml:atom id="a23" elementType="H" x3="0.705844" y3="0.200254" z3="-2.063760"/>
  <cml:atom id="a24" elementType="C" x3="1.918343" y3="-0.780040" z3="1.034702"/>
  <cml:atom id="a25" elementType="H" x3="2.885560" y3="-0.323114" z3="0.801089"/>
  <cml:atom id="a26" elementType="C" x3="0.704787" y3="-1.895526" z3="-1.979533"/>
  <cml:atom id="a27" elementType="H" x3="0.835738" y3="-1.972464" z3="-3.063833"/>
  <cml:atom id="a28" elementType="H" x3="1.202465" y3="-2.755179" z3="-1.528068"/>
  <cml:atom id="a29" elementType="H" x3="-0.365797" y3="-1.977340" z3="-1.767353"/>
  <cml:atom id="a30" elementType="C" x3="2.726961" y3="-0.362273" z3="-1.823524"/>
  <cml:atom id="a31" elementType="H" x3="2.874475" y3="-0.410784" z3="-2.906623"/>
  <cml:atom id="a32" elementType="H" x3="3.081858" y3="0.611762" z3="-1.476036"/>
  <cml:atom id="a33" elementType="H" x3="3.359381" y3="-1.131820" z3="-1.371436"/>
  <cml:atom id="a34" elementType="C" x3="1.595766" y3="-0.412993" z3="2.487498"/>
  <cml:atom id="a35" elementType="H" x3="1.657247" y3="0.663675" z3="2.644983"/>
  <cml:atom id="a36" elementType="H" x3="0.597871" y3="-0.760591" z3="2.772365"/>
  <cml:atom id="a37" elementType="H" x3="2.320002" y3="-0.887610" z3="3.156680"/>
  <cml:atom id="a38" elementType="C" x3="2.080154" y3="-2.302707" z3="0.952153"/>
  <cml:atom id="a39" elementType="H" x3="1.111405" y3="-2.803677" z3="1.058050"/>
  <cml:atom id="a40" elementType="H" x3="2.527440" y3="-2.631410" z3="0.014120"/>
  <cml:atom id="a41" elementType="H" x3="2.727093" y3="-2.655340" z3="1.760622"/>
 </cml:atomArray>
 <cml:bondArray>
  <cml:bond atomRefs2="a27 a26" order="1"/>
  <cml:bond atomRefs2="a31 a30" order="1"/>
  <cml:bond atomRefs2="a23 a22" order="1"/>
  <cml:bond atomRefs2="a26 a29" order="1"/>
  <cml:bond atomRefs2="a26 a28" order="1"/>
  <cml:bond atomRefs2="a26 a22" order="1"/>
  <cml:bond atomRefs2="a7 a4" order="1"/>
  <cml:bond atomRefs2="a30 a22" order="1"/>
  <cml:bond atomRefs2="a30 a32" order="1"/>
  <cml:bond atomRefs2="a30 a33" order="1"/>
  <cml:bond atomRefs2="a19 a17" order="1"/>
  <cml:bond atomRefs2="a22 a13" order="1"/>
  <cml:bond atomRefs2="a6 a2" order="1"/>
  <cml:bond atomRefs2="a18 a17" order="1"/>
  <cml:bond atomRefs2="a4 a8" order="1"/>
  <cml:bond atomRefs2="a4 a1" order="2"/>
  <cml:bond atomRefs2="a17 a15" order="1"/>
  <cml:bond atomRefs2="a17 a20" order="1"/>
  <cml:bond atomRefs2="a15 a11" order="1"/>
  <cml:bond atomRefs2="a2 a1" order="1"/>
  <cml:bond atomRefs2="a2 a5" order="1"/>
  <cml:bond atomRefs2="a13 a11" order="1"/>
  <cml:bond atomRefs2="a13 a14" order="1"/>
  <cml:bond atomRefs2="a13 a24" order="1"/>
  <cml:bond atomRefs2="a40 a38" order="1"/>
  <cml:bond atomRefs2="a1 a3" order="1"/>
  <cml:bond atomRefs2="a11 a12" order="2"/>
  <cml:bond atomRefs2="a25 a24" order="1"/>
  <cml:bond atomRefs2="a38 a24" order="1"/>
  <cml:bond atomRefs2="a38 a39" order="1"/>
  <cml:bond atomRefs2="a38 a41" order="1"/>
  <cml:bond atomRefs2="a24 a34" order="1"/>
  <cml:bond atomRefs2="a3 a9" order="1"/>
  <cml:bond atomRefs2="a3 a10" order="1"/>
  <cml:bond atomRefs2="a16 a21" order="1"/>
  <cml:bond atomRefs2="a34 a35" order="1"/>
  <cml:bond atomRefs2="a34 a36" order="1"/>
  <cml:bond atomRefs2="a34 a37" order="1"/>
 </cml:bondArray>
</cml:molecule>
