<?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="-3.153436" y3="3.524615" z3="-0.951560"/>
  <cml:atom id="a2" elementType="O" spinMultiplicity="2" x3="-2.014586" y3="3.276922" z3="-0.365585"/>
  <cml:atom id="a3" elementType="O" x3="-3.463011" y3="2.437603" z3="-2.171851"/>
  <cml:atom id="a4" elementType="C" x3="-3.150118" y3="4.822029" z3="-1.757630"/>
  <cml:atom id="a5" elementType="H" x3="-4.066332" y3="4.941239" z3="-2.353821"/>
  <cml:atom id="a6" elementType="H" x3="-3.067297" y3="5.670539" z3="-1.059473"/>
  <cml:atom id="a7" elementType="H" x3="-2.275504" y3="4.834398" z3="-2.424120"/>
  <cml:atom id="a8" elementType="C" x3="-4.411999" y3="3.343678" z3="-0.103825"/>
  <cml:atom id="a9" elementType="H" x3="-4.404209" y3="4.107539" z3="0.690569"/>
  <cml:atom id="a10" elementType="H" x3="-5.328146" y3="3.464825" z3="-0.699885"/>
  <cml:atom id="a11" elementType="H" x3="-4.398947" y3="2.350998" z3="0.361537"/>
  <cml:atom id="a12" elementType="C" x3="-2.589892" y3="1.549103" z3="-2.564828"/>
  <cml:atom id="a13" elementType="O" x3="-2.656051" y3="1.020825" z3="-3.671850"/>
  <cml:atom id="a14" elementType="C" x3="-1.488101" y3="1.194036" z3="-1.619285"/>
  <cml:atom id="a15" elementType="C" x3="-0.303337" y3="0.762742" z3="-2.092006"/>
  <cml:atom id="a16" elementType="H" x3="-0.145324" y3="0.604282" z3="-3.159254"/>
  <cml:atom id="a17" elementType="N" x3="0.784854" y3="0.522822" z3="-1.271485"/>
  <cml:atom id="a18" elementType="C" spinMultiplicity="2" x3="-1.671098" y3="1.278521" z3="-0.162101"/>
  <cml:atom id="a19" elementType="O" x3="-2.660130" y3="0.818118" z3="0.437301"/>
  <cml:atom id="a20" elementType="Na" x3="-2.423058" y3="-1.112827" z3="1.587483"/>
  <cml:atom id="a21" elementType="O" x3="-2.557915" y3="-3.430138" z3="-2.567932"/>
  <cml:atom id="a22" elementType="O" x3="-1.581885" y3="-1.915376" z3="3.571581"/>
  <cml:atom id="a23" elementType="C" x3="1.916418" y3="-0.222068" z3="-1.818579"/>
  <cml:atom id="a24" elementType="C" x3="3.310547" y3="0.243558" z3="-1.383581"/>
  <cml:atom id="a25" elementType="H" x3="1.840878" y3="-0.104707" z3="-2.907251"/>
  <cml:atom id="a26" elementType="C" x3="3.859213" y3="-0.871220" z3="-0.462976"/>
  <cml:atom id="a27" elementType="H" x3="3.308119" y3="1.239627" z3="-0.923446"/>
  <cml:atom id="a28" elementType="C" x3="2.826279" y3="-2.010292" z3="-0.571772"/>
  <cml:atom id="a29" elementType="H" x3="3.998317" y3="-0.530944" z3="0.572043"/>
  <cml:atom id="a30" elementType="H" x3="3.325252" y3="-2.900376" z3="-0.984214"/>
  <cml:atom id="a31" elementType="O" x3="1.840266" y3="-1.599527" z3="-1.522955"/>
  <cml:atom id="a32" elementType="C" x3="2.181995" y3="-2.374022" z3="0.757803"/>
  <cml:atom id="a33" elementType="H" x3="2.937323" y3="-2.799499" z3="1.432550"/>
  <cml:atom id="a34" elementType="H" x3="1.712198" y3="-1.500770" z3="1.221083"/>
  <cml:atom id="a35" elementType="O" x3="1.208717" y3="-3.412556" z3="0.544374"/>
  <cml:atom id="a36" elementType="C" x3="-0.079223" y3="-3.085646" z3="0.456443"/>
  <cml:atom id="a37" elementType="O" x3="-0.499287" y3="-1.955188" z3="0.644222"/>
  <cml:atom id="a38" elementType="C" x3="-0.948500" y3="-4.256543" z3="0.109352"/>
  <cml:atom id="a39" elementType="H" x3="-0.403764" y3="-5.204060" z3="0.192207"/>
  <cml:atom id="a40" elementType="H" x3="-1.829934" y3="-4.262298" z3="0.766308"/>
  <cml:atom id="a41" elementType="H" x3="-1.315980" y3="-4.123305" z3="-0.923529"/>
  <cml:atom id="a42" elementType="C" x3="-3.860341" y3="-3.894949" z3="-2.218590"/>
  <cml:atom id="a43" elementType="C" x3="-2.479970" y3="-2.004190" z3="-2.382639"/>
  <cml:atom id="a44" elementType="C" x3="-1.746019" y3="-3.297394" z3="3.923703"/>
  <cml:atom id="a45" elementType="C" x3="-0.277033" y3="-1.453098" z3="3.982001"/>
  <cml:atom id="a46" elementType="H" x3="-2.289417" y3="-3.376298" z3="4.883164"/>
  <cml:atom id="a47" elementType="H" x3="-2.351303" y3="-3.784945" z3="3.144357"/>
  <cml:atom id="a48" elementType="H" x3="0.264446" y3="-1.120672" z3="3.082536"/>
  <cml:atom id="a49" elementType="H" x3="-0.395463" y3="-0.590986" z3="4.656783"/>
  <cml:atom id="a50" elementType="H" x3="-3.764915" y3="-4.892362" z3="-1.760128"/>
  <cml:atom id="a51" elementType="H" x3="-4.488965" y3="-3.993327" z3="-3.125711"/>
  <cml:atom id="a52" elementType="H" x3="-2.199882" y3="-1.511853" z3="-3.325289"/>
  <cml:atom id="a53" elementType="H" x3="-1.693681" y3="-1.792781" z3="-1.640886"/>
  <cml:atom id="a54" elementType="C" x3="-4.430972" y3="-2.836099" z3="-1.277979"/>
  <cml:atom id="a55" elementType="C" x3="-3.858609" y3="-1.550449" z3="-1.887455"/>
  <cml:atom id="a56" elementType="C" x3="-0.329385" y3="-3.846131" z3="4.046436"/>
  <cml:atom id="a57" elementType="C" x3="0.410643" y3="-2.647151" z3="4.652671"/>
  <cml:atom id="a58" elementType="H" x3="-4.044647" y3="-2.996296" z3="-0.257480"/>
  <cml:atom id="a59" elementType="H" x3="-5.529731" y3="-2.850805" z3="-1.230913"/>
  <cml:atom id="a60" elementType="H" x3="-3.788880" y3="-0.712933" z3="-1.180103"/>
  <cml:atom id="a61" elementType="H" x3="-4.478376" y3="-1.220769" z3="-2.735564"/>
  <cml:atom id="a62" elementType="H" x3="0.079812" y3="-4.092166" z3="3.054148"/>
  <cml:atom id="a63" elementType="H" x3="-0.278306" y3="-4.750582" z3="4.668939"/>
  <cml:atom id="a64" elementType="H" x3="1.492725" y3="-2.662563" z3="4.460351"/>
  <cml:atom id="a65" elementType="H" x3="0.259023" y3="-2.618766" z3="5.742956"/>
  <cml:atom id="a66" elementType="O" x3="4.161400" y3="0.184123" z3="-2.516091"/>
  <cml:atom id="a67" elementType="O" x3="5.095249" y3="-1.249151" z3="-1.043120"/>
  <cml:atom id="a68" elementType="C" x3="5.414462" y3="-0.340930" z3="-2.099131"/>
  <cml:atom id="a69" elementType="C" x3="6.321106" y3="0.771677" z3="-1.575625"/>
  <cml:atom id="a70" elementType="C" x3="6.020756" y3="-1.118371" z3="-3.250797"/>
  <cml:atom id="a71" elementType="H" x3="6.241095" y3="-0.444896" z3="-4.091322"/>
  <cml:atom id="a72" elementType="H" x3="6.955302" y3="-1.600611" z3="-2.930950"/>
  <cml:atom id="a73" elementType="H" x3="5.309896" y3="-1.888692" z3="-3.580770"/>
  <cml:atom id="a74" elementType="H" x3="5.839044" y3="1.306281" z3="-0.743451"/>
  <cml:atom id="a75" elementType="H" x3="7.267564" y3="0.347198" z3="-1.210789"/>
  <cml:atom id="a76" elementType="H" x3="6.539934" y3="1.493893" z3="-2.375695"/>
  <cml:atom id="a77" elementType="N" x3="-0.432622" y3="1.377606" z3="0.547612"/>
  <cml:atom id="a78" elementType="C" x3="0.744824" y3="0.849022" z3="0.083791"/>
  <cml:atom id="a79" elementType="O" x3="1.714130" y3="0.668823" z3="0.814556"/>
  <cml:atom id="a80" elementType="C" x3="-0.465593" y3="1.827954" z3="1.940802"/>
  <cml:atom id="a81" elementType="H" x3="-1.506691" y3="2.118787" z3="2.128310"/>
  <cml:atom id="a82" elementType="H" x3="-0.219040" y3="0.994790" z3="2.612740"/>
  <cml:atom id="a83" elementType="C" x3="0.467452" y3="2.988879" z3="2.207032"/>
  <cml:atom id="a84" elementType="C" x3="0.439543" y3="4.126791" z3="1.386367"/>
  <cml:atom id="a85" elementType="C" x3="1.357528" y3="2.944756" z3="3.286823"/>
  <cml:atom id="a86" elementType="C" x3="1.294368" y3="5.200599" z3="1.649033"/>
  <cml:atom id="a87" elementType="H" x3="-0.262457" y3="4.149979" z3="0.548847"/>
  <cml:atom id="a88" elementType="C" x3="2.206766" y3="4.022874" z3="3.553865"/>
  <cml:atom id="a89" elementType="H" x3="1.393622" y3="2.052421" z3="3.917723"/>
  <cml:atom id="a90" elementType="C" x3="2.178857" y3="5.154305" z3="2.732885"/>
  <cml:atom id="a91" elementType="H" x3="1.268452" y3="6.083334" z3="1.004513"/>
  <cml:atom id="a92" elementType="H" x3="2.898317" y3="3.974837" z3="4.398867"/>
  <cml:atom id="a93" elementType="H" x3="2.845909" y3="5.996037" z3="2.935214"/>
 </cml:atomArray>
 <cml:bondArray>
  <cml:bond atomRefs2="a71 a70" order="1"/>
  <cml:bond atomRefs2="a13 a12" order="2"/>
  <cml:bond atomRefs2="a73 a70" order="1"/>
  <cml:bond atomRefs2="a52 a43" order="1"/>
  <cml:bond atomRefs2="a70 a72" order="1"/>
  <cml:bond atomRefs2="a70 a68" order="1"/>
  <cml:bond atomRefs2="a16 a15" order="1"/>
  <cml:bond atomRefs2="a51 a42" order="1"/>
  <cml:bond atomRefs2="a25 a23" order="1"/>
  <cml:bond atomRefs2="a61 a55" order="1"/>
  <cml:bond atomRefs2="a21 a43" order="1"/>
  <cml:bond atomRefs2="a21 a42" order="1"/>
  <cml:bond atomRefs2="a12 a3" order="1"/>
  <cml:bond atomRefs2="a12 a14" order="1"/>
  <cml:bond atomRefs2="a66 a68" order="1"/>
  <cml:bond atomRefs2="a66 a24" order="1"/>
  <cml:bond atomRefs2="a7 a4" order="1"/>
  <cml:bond atomRefs2="a43 a55" order="1"/>
  <cml:bond atomRefs2="a43 a53" order="1"/>
  <cml:bond atomRefs2="a76 a69" order="1"/>
  <cml:bond atomRefs2="a5 a4" order="1"/>
  <cml:bond atomRefs2="a42 a50" order="1"/>
  <cml:bond atomRefs2="a42 a54" order="1"/>
  <cml:bond atomRefs2="a3 a1" order="1"/>
  <cml:bond atomRefs2="a68 a69" order="1"/>
  <cml:bond atomRefs2="a68 a67" order="1"/>
  <cml:bond atomRefs2="a15 a14" order="2"/>
  <cml:bond atomRefs2="a15 a17" order="1"/>
  <cml:bond atomRefs2="a55 a54" order="1"/>
  <cml:bond atomRefs2="a55 a60" order="1"/>
  <cml:bond atomRefs2="a23 a31" order="1"/>
  <cml:bond atomRefs2="a23 a24" order="1"/>
  <cml:bond atomRefs2="a23 a17" order="1"/>
  <cml:bond atomRefs2="a4 a6" order="1"/>
  <cml:bond atomRefs2="a4 a1" order="1"/>
  <cml:bond atomRefs2="a14 a18" order="1"/>
  <cml:bond atomRefs2="a69 a75" order="1"/>
  <cml:bond atomRefs2="a69 a74" order="1"/>
  <cml:bond atomRefs2="a31 a28" order="1"/>
  <cml:bond atomRefs2="a24 a27" order="1"/>
  <cml:bond atomRefs2="a24 a26" order="1"/>
  <cml:bond atomRefs2="a54 a59" order="1"/>
  <cml:bond atomRefs2="a54 a58" order="1"/>
  <cml:bond atomRefs2="a17 a78" order="1"/>
  <cml:bond atomRefs2="a67 a26" order="1"/>
  <cml:bond atomRefs2="a30 a28" order="1"/>
  <cml:bond atomRefs2="a1 a2" order="1"/>
  <cml:bond atomRefs2="a1 a8" order="1"/>
  <cml:bond atomRefs2="a41 a38" order="1"/>
  <cml:bond atomRefs2="a10 a8" order="1"/>
  <cml:bond atomRefs2="a28 a26" order="1"/>
  <cml:bond atomRefs2="a28 a32" order="1"/>
  <cml:bond atomRefs2="a26 a29" order="1"/>
  <cml:bond atomRefs2="a18 a19" order="1"/>
  <cml:bond atomRefs2="a18 a77" order="1"/>
  <cml:bond atomRefs2="a8 a11" order="1"/>
  <cml:bond atomRefs2="a8 a9" order="1"/>
  <cml:bond atomRefs2="a78 a77" order="1"/>
  <cml:bond atomRefs2="a78 a79" order="2"/>
  <cml:bond atomRefs2="a38 a39" order="1"/>
  <cml:bond atomRefs2="a38 a36" order="1"/>
  <cml:bond atomRefs2="a38 a40" order="1"/>
  <cml:bond atomRefs2="a19 a20" order="1"/>
  <cml:bond atomRefs2="a36 a35" order="1"/>
  <cml:bond atomRefs2="a36 a37" order="2"/>
  <cml:bond atomRefs2="a35 a32" order="1"/>
  <cml:bond atomRefs2="a77 a80" order="1"/>
  <cml:bond atomRefs2="a87 a84" order="1"/>
  <cml:bond atomRefs2="a32 a34" order="1"/>
  <cml:bond atomRefs2="a32 a33" order="1"/>
  <cml:bond atomRefs2="a91 a86" order="1"/>
  <cml:bond atomRefs2="a84 a86" order="2"/>
  <cml:bond atomRefs2="a84 a83" order="1"/>
  <cml:bond atomRefs2="a86 a90" order="1"/>
  <cml:bond atomRefs2="a80 a81" order="1"/>
  <cml:bond atomRefs2="a80 a83" order="1"/>
  <cml:bond atomRefs2="a80 a82" order="1"/>
  <cml:bond atomRefs2="a83 a85" order="2"/>
  <cml:bond atomRefs2="a90 a93" order="1"/>
  <cml:bond atomRefs2="a90 a88" order="2"/>
  <cml:bond atomRefs2="a62 a56" order="1"/>
  <cml:bond atomRefs2="a48 a45" order="1"/>
  <cml:bond atomRefs2="a47 a44" order="1"/>
  <cml:bond atomRefs2="a85 a88" order="1"/>
  <cml:bond atomRefs2="a85 a89" order="1"/>
  <cml:bond atomRefs2="a88 a92" order="1"/>
  <cml:bond atomRefs2="a22 a44" order="1"/>
  <cml:bond atomRefs2="a22 a45" order="1"/>
  <cml:bond atomRefs2="a44 a56" order="1"/>
  <cml:bond atomRefs2="a44 a46" order="1"/>
  <cml:bond atomRefs2="a45 a57" order="1"/>
  <cml:bond atomRefs2="a45 a49" order="1"/>
  <cml:bond atomRefs2="a56 a57" order="1"/>
  <cml:bond atomRefs2="a56 a63" order="1"/>
  <cml:bond atomRefs2="a64 a57" order="1"/>
  <cml:bond atomRefs2="a57 a65" order="1"/>
 </cml:bondArray>
</cml:molecule>
