<?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="4.202350" y3="1.276207" z3="-1.450178"/>
  <cml:atom id="a2" elementType="O" x3="3.595271" y3="0.750095" z3="-0.268563"/>
  <cml:atom id="a3" elementType="O" x3="4.014470" y3="0.384938" z3="-2.548270"/>
  <cml:atom id="a4" elementType="C" x3="5.691527" y3="1.335293" z3="-1.183848"/>
  <cml:atom id="a5" elementType="H" x3="6.214674" y3="1.714297" z3="-2.072464"/>
  <cml:atom id="a6" elementType="H" x3="5.892397" y3="2.003308" z3="-0.335061"/>
  <cml:atom id="a7" elementType="H" x3="6.057902" y3="0.328459" z3="-0.945005"/>
  <cml:atom id="a8" elementType="C" x3="3.591535" y3="2.637638" z3="-1.773669"/>
  <cml:atom id="a9" elementType="H" x3="3.784219" y3="3.337116" z3="-0.948355"/>
  <cml:atom id="a10" elementType="H" x3="4.036852" y3="3.038326" z3="-2.694724"/>
  <cml:atom id="a11" elementType="H" x3="2.505210" y3="2.549633" z3="-1.909733"/>
  <cml:atom id="a12" elementType="C" x3="2.757416" y3="-0.103785" z3="-2.781764"/>
  <cml:atom id="a13" elementType="O" x3="2.512377" y3="-0.541099" z3="-3.889955"/>
  <cml:atom id="a14" elementType="C" spinMultiplicity="2" x3="1.844722" y3="-0.099329" z3="-1.648773"/>
  <cml:atom id="a15" elementType="C" spinMultiplicity="2" x3="0.495905" y3="-0.390432" z3="-1.930028"/>
  <cml:atom id="a16" elementType="H" x3="0.222111" y3="-0.314591" z3="-2.995026"/>
  <cml:atom id="a17" elementType="N" spinMultiplicity="2" x3="-0.440463" y3="-0.708738" z3="-1.068802"/>
  <cml:atom id="a18" elementType="C" x3="2.312471" y3="0.287363" z3="-0.337807"/>
  <cml:atom id="a19" elementType="O" x3="1.679714" y3="0.269020" z3="0.707508"/>
  <cml:atom id="a20" elementType="Na" x3="-0.546631" y3="0.981055" z3="1.021636"/>
  <cml:atom id="a21" elementType="O" x3="0.131822" y3="2.654332" z3="-0.452983"/>
  <cml:atom id="a22" elementType="O" x3="0.098541" y3="1.223429" z3="3.262057"/>
  <cml:atom id="a23" elementType="C" x3="-1.799816" y3="-0.616738" z3="-1.471181"/>
  <cml:atom id="a24" elementType="C" x3="-2.663101" y3="-1.900750" z3="-1.305719"/>
  <cml:atom id="a25" elementType="H" x3="-1.896333" y3="-0.300542" z3="-2.526276"/>
  <cml:atom id="a26" elementType="C" x3="-3.602271" y3="-1.585392" z3="-0.142653"/>
  <cml:atom id="a27" elementType="C" x3="-3.763360" y3="-0.061259" z3="-0.279547"/>
  <cml:atom id="a28" elementType="H" x3="-3.027559" y3="-1.785501" z3="0.771979"/>
  <cml:atom id="a29" elementType="H" x3="-4.456367" y3="0.189029" z3="-1.093338"/>
  <cml:atom id="a30" elementType="O" x3="-2.436440" y3="0.349888" z3="-0.614778"/>
  <cml:atom id="a31" elementType="C" x3="-4.210048" y3="0.612354" z3="0.998274"/>
  <cml:atom id="a32" elementType="H" x3="-5.196121" y3="0.223363" z3="1.284561"/>
  <cml:atom id="a33" elementType="H" x3="-3.493991" y3="0.430099" z3="1.811203"/>
  <cml:atom id="a34" elementType="O" x3="-4.384856" y3="2.020384" z3="0.798995"/>
  <cml:atom id="a35" elementType="C" x3="-3.368942" y3="2.845892" z3="1.092047"/>
  <cml:atom id="a36" elementType="O" x3="-2.305446" y3="2.469675" z3="1.537802"/>
  <cml:atom id="a37" elementType="C" x3="-3.723119" y3="4.274358" z3="0.794566"/>
  <cml:atom id="a38" elementType="H" x3="-4.674061" y3="4.537370" z3="1.279970"/>
  <cml:atom id="a39" elementType="H" x3="-2.921210" y3="4.938208" z3="1.136025"/>
  <cml:atom id="a40" elementType="H" x3="-3.866904" y3="4.390184" z3="-0.290763"/>
  <cml:atom id="a41" elementType="C" x3="0.605271" y3="3.853628" z3="0.176145"/>
  <cml:atom id="a42" elementType="C" x3="-0.536293" y3="2.958475" z3="-1.687167"/>
  <cml:atom id="a43" elementType="C" x3="-0.486203" y3="0.299207" z3="4.178093"/>
  <cml:atom id="a44" elementType="C" x3="1.480449" y3="1.308775" z3="3.611280"/>
  <cml:atom id="a45" elementType="H" x3="-0.711162" y3="0.816301" z3="5.130382"/>
  <cml:atom id="a46" elementType="H" x3="-1.427620" y3="-0.061316" z3="3.741153"/>
  <cml:atom id="a47" elementType="H" x3="2.018714" y3="1.723542" z3="2.750280"/>
  <cml:atom id="a48" elementType="H" x3="1.597712" y3="1.982207" z3="4.482151"/>
  <cml:atom id="a49" elementType="H" x3="1.616948" y3="3.664402" z3="0.565949"/>
  <cml:atom id="a50" elementType="H" x3="-0.057237" y3="4.100799" z3="1.024893"/>
  <cml:atom id="a51" elementType="H" x3="-1.503722" y3="2.435178" z3="-1.701006"/>
  <cml:atom id="a52" elementType="H" x3="0.076874" y3="2.577177" z3="-2.522932"/>
  <cml:atom id="a53" elementType="C" x3="0.551377" y3="4.929770" z3="-0.905321"/>
  <cml:atom id="a54" elementType="C" x3="-0.662437" y3="4.481764" z3="-1.728677"/>
  <cml:atom id="a55" elementType="C" x3="0.567050" y3="-0.804449" z3="4.379625"/>
  <cml:atom id="a56" elementType="C" x3="1.896056" y3="-0.128552" z3="3.954108"/>
  <cml:atom id="a57" elementType="H" x3="1.465171" y3="4.902825" z3="-1.520190"/>
  <cml:atom id="a58" elementType="H" x3="0.449070" y3="5.942209" z3="-0.489200"/>
  <cml:atom id="a59" elementType="H" x3="-0.666732" y3="4.875857" z3="-2.754896"/>
  <cml:atom id="a60" elementType="H" x3="-1.593415" y3="4.802968" z3="-1.236812"/>
  <cml:atom id="a61" elementType="H" x3="0.341681" y3="-1.660708" z3="3.730532"/>
  <cml:atom id="a62" elementType="H" x3="0.583458" y3="-1.156448" z3="5.421237"/>
  <cml:atom id="a63" elementType="H" x3="2.307419" y3="-0.611679" z3="3.058490"/>
  <cml:atom id="a64" elementType="H" x3="2.660015" y3="-0.154428" z3="4.744605"/>
  <cml:atom id="a65" elementType="O" x3="-4.733618" y3="-2.432675" z3="-0.073878"/>
  <cml:atom id="a66" elementType="N" x3="0.884259" y3="-2.554504" z3="0.129820"/>
  <cml:atom id="a67" elementType="C" x3="-0.016347" y3="-1.816821" z3="0.537126"/>
  <cml:atom id="a68" elementType="O" x3="-0.794509" y3="-1.424351" z3="1.373649"/>
  <cml:atom id="a69" elementType="C" x3="1.769295" y3="-3.268530" z3="1.034308"/>
  <cml:atom id="a70" elementType="H" x3="1.530659" y3="-3.078855" z3="2.095894"/>
  <cml:atom id="a71" elementType="H" x3="1.636575" y3="-4.354137" z3="0.871076"/>
  <cml:atom id="a72" elementType="C" x3="3.219008" y3="-2.909718" z3="0.771243"/>
  <cml:atom id="a73" elementType="C" x3="3.688599" y3="-2.774542" z3="-0.543871"/>
  <cml:atom id="a74" elementType="C" x3="4.113733" y3="-2.713884" z3="1.830852"/>
  <cml:atom id="a75" elementType="C" x3="5.025337" y3="-2.461608" z3="-0.793327"/>
  <cml:atom id="a76" elementType="H" x3="2.987217" y3="-2.893941" z3="-1.370538"/>
  <cml:atom id="a77" elementType="C" x3="5.455364" y3="-2.401371" z3="1.584428"/>
  <cml:atom id="a78" elementType="H" x3="3.756309" y3="-2.799906" z3="2.860593"/>
  <cml:atom id="a79" elementType="C" x3="5.915515" y3="-2.276671" z3="0.270759"/>
  <cml:atom id="a80" elementType="H" x3="5.370808" y3="-2.345392" z3="-1.823063"/>
  <cml:atom id="a81" elementType="H" x3="6.139968" y3="-2.247992" z3="2.422473"/>
  <cml:atom id="a82" elementType="H" x3="6.961687" y3="-2.027859" z3="0.076250"/>
  <cml:atom id="a83" elementType="F" x3="-1.931129" y3="-3.017047" z3="-1.097156"/>
  <cml:atom id="a84" elementType="F" x3="-3.376672" y3="-2.115258" z3="-2.448966"/>
  <cml:atom id="a85" elementType="C" x3="-5.851044" y3="-2.266681" z3="-0.829465"/>
  <cml:atom id="a86" elementType="C" x3="-6.762178" y3="-3.449955" z3="-0.658960"/>
  <cml:atom id="a87" elementType="H" x3="-6.280816" y3="-4.340817" z3="-1.091672"/>
  <cml:atom id="a88" elementType="H" x3="-6.926631" y3="-3.652113" z3="0.409328"/>
  <cml:atom id="a89" elementType="H" x3="-7.715189" y3="-3.259464" z3="-1.165430"/>
  <cml:atom id="a90" elementType="O" x3="-6.070943" y3="-1.303245" z3="-1.518828"/>
 </cml:atomArray>
 <cml:bondArray>
  <cml:bond atomRefs2="a13 a12" order="2"/>
  <cml:bond atomRefs2="a16 a15" order="1"/>
  <cml:bond atomRefs2="a12 a3" order="1"/>
  <cml:bond atomRefs2="a12 a14" order="1"/>
  <cml:bond atomRefs2="a59 a54" order="1"/>
  <cml:bond atomRefs2="a10 a8" order="1"/>
  <cml:bond atomRefs2="a3 a1" order="1"/>
  <cml:bond atomRefs2="a25 a23" order="1"/>
  <cml:bond atomRefs2="a52 a42" order="1"/>
  <cml:bond atomRefs2="a84 a24" order="1"/>
  <cml:bond atomRefs2="a5 a4" order="1"/>
  <cml:bond atomRefs2="a15 a14" order="1"/>
  <cml:bond atomRefs2="a15 a17" order="1"/>
  <cml:bond atomRefs2="a11 a8" order="1"/>
  <cml:bond atomRefs2="a80 a75" order="1"/>
  <cml:bond atomRefs2="a8 a1" order="1"/>
  <cml:bond atomRefs2="a8 a9" order="1"/>
  <cml:bond atomRefs2="a54 a42" order="1"/>
  <cml:bond atomRefs2="a54 a60" order="1"/>
  <cml:bond atomRefs2="a54 a53" order="1"/>
  <cml:bond atomRefs2="a51 a42" order="1"/>
  <cml:bond atomRefs2="a42 a21" order="1"/>
  <cml:bond atomRefs2="a14 a18" order="1"/>
  <cml:bond atomRefs2="a57 a53" order="1"/>
  <cml:bond atomRefs2="a90 a85" order="2"/>
  <cml:bond atomRefs2="a23 a24" order="1"/>
  <cml:bond atomRefs2="a23 a17" order="1"/>
  <cml:bond atomRefs2="a23 a30" order="1"/>
  <cml:bond atomRefs2="a1 a4" order="1"/>
  <cml:bond atomRefs2="a1 a2" order="1"/>
  <cml:bond atomRefs2="a76 a73" order="1"/>
  <cml:bond atomRefs2="a24 a83" order="1"/>
  <cml:bond atomRefs2="a24 a26" order="1"/>
  <cml:bond atomRefs2="a4 a7" order="1"/>
  <cml:bond atomRefs2="a4 a6" order="1"/>
  <cml:bond atomRefs2="a89 a86" order="1"/>
  <cml:bond atomRefs2="a29 a27" order="1"/>
  <cml:bond atomRefs2="a87 a86" order="1"/>
  <cml:bond atomRefs2="a53 a58" order="1"/>
  <cml:bond atomRefs2="a53 a41" order="1"/>
  <cml:bond atomRefs2="a85 a86" order="1"/>
  <cml:bond atomRefs2="a85 a65" order="1"/>
  <cml:bond atomRefs2="a75 a73" order="2"/>
  <cml:bond atomRefs2="a75 a79" order="1"/>
  <cml:bond atomRefs2="a86 a88" order="1"/>
  <cml:bond atomRefs2="a30 a27" order="1"/>
  <cml:bond atomRefs2="a73 a72" order="1"/>
  <cml:bond atomRefs2="a21 a41" order="1"/>
  <cml:bond atomRefs2="a18 a2" order="1"/>
  <cml:bond atomRefs2="a18 a19" order="2"/>
  <cml:bond atomRefs2="a40 a37" order="1"/>
  <cml:bond atomRefs2="a27 a26" order="1"/>
  <cml:bond atomRefs2="a27 a31" order="1"/>
  <cml:bond atomRefs2="a26 a65" order="1"/>
  <cml:bond atomRefs2="a26 a28" order="1"/>
  <cml:bond atomRefs2="a82 a79" order="1"/>
  <cml:bond atomRefs2="a66 a67" order="2"/>
  <cml:bond atomRefs2="a66 a69" order="1"/>
  <cml:bond atomRefs2="a41 a49" order="1"/>
  <cml:bond atomRefs2="a41 a50" order="1"/>
  <cml:bond atomRefs2="a79 a77" order="2"/>
  <cml:bond atomRefs2="a67 a68" order="2"/>
  <cml:bond atomRefs2="a72 a69" order="1"/>
  <cml:bond atomRefs2="a72 a74" order="2"/>
  <cml:bond atomRefs2="a37 a35" order="1"/>
  <cml:bond atomRefs2="a37 a39" order="1"/>
  <cml:bond atomRefs2="a37 a38" order="1"/>
  <cml:bond atomRefs2="a34 a31" order="1"/>
  <cml:bond atomRefs2="a34 a35" order="1"/>
  <cml:bond atomRefs2="a71 a69" order="1"/>
  <cml:bond atomRefs2="a31 a32" order="1"/>
  <cml:bond atomRefs2="a31 a33" order="1"/>
  <cml:bond atomRefs2="a69 a70" order="1"/>
  <cml:bond atomRefs2="a35 a36" order="2"/>
  <cml:bond atomRefs2="a77 a74" order="1"/>
  <cml:bond atomRefs2="a77 a81" order="1"/>
  <cml:bond atomRefs2="a74 a78" order="1"/>
  <cml:bond atomRefs2="a47 a44" order="1"/>
  <cml:bond atomRefs2="a63 a56" order="1"/>
  <cml:bond atomRefs2="a22 a44" order="1"/>
  <cml:bond atomRefs2="a22 a43" order="1"/>
  <cml:bond atomRefs2="a44 a56" order="1"/>
  <cml:bond atomRefs2="a44 a48" order="1"/>
  <cml:bond atomRefs2="a61 a55" order="1"/>
  <cml:bond atomRefs2="a46 a43" order="1"/>
  <cml:bond atomRefs2="a56 a55" order="1"/>
  <cml:bond atomRefs2="a56 a64" order="1"/>
  <cml:bond atomRefs2="a43 a55" order="1"/>
  <cml:bond atomRefs2="a43 a45" order="1"/>
  <cml:bond atomRefs2="a55 a62" order="1"/>
 </cml:bondArray>
</cml:molecule>
