<?xml version="1.0" encoding="UTF-8" ?>
<cml xmlns="http://www.xml-cml.org/schema/cml2/core">
<matrix dataType="xsd:decimal" title="Rotation Matrix" columns="4" rows="4">-0.115917 0.993106 -0.0174378 -0.17866 -0.424422 -0.0336513 0.904839 0.0344775 0.898014 0.112287 0.425397 0.511767 0 0 0 1</matrix>
<metadataList>
<metadata name="Maximum Size" content="5.05516"></metadata>
<metadata name="Window Size" content="7.56896"></metadata>
<metadata name="Current Frame" content="1"></metadata>
<metadata name="Label Hydrogen Atoms" content="true"></metadata>
<metadata name="Preferences">
<MoleculeDisplayPreferences ShowToolbar="false" AutoRotationAllowed="true" AnimationDelay="20" Atom3DQuality="13" BondWidth="0.068" AtomScale="0.005" FieldOfView="30" VectorScale="0.5" FillBrightness3D="0.6" PointBrightness3D="0.8" LineWidth3D="0.004" LabelSize="10" AtomLabelSize="1" AnnotationLabelSize="1" AnimationSpeed="7" StereoOffset="3" RotateMode="true" ShaderMode="1" AnimateMode="false" ShowAngles="true" StereoActive="false" ColorBondHalves="true" WireframeMode="false" EFPWireFrameMode="false" OutlineBonds="false" UseCylinders="false" Use3DByDefault="false" Use3DHardware="false" ShowAtomicSymbols="false" ShowAtomNumbers="false" ShowSymmetryOperators="false" ShowAtomPatterns="false">
<BackgroundColor red="1" green="1" blue="1"></BackgroundColor>
<VectorColor red="1" green="0" blue="0" pattern="0"></VectorColor>
<BondColor BondOrder="1" red="0.260853" green="0.260853" blue="0.260853" pattern="0"></BondColor>
<BondColor BondOrder="2" red="0" green="0" blue="0" pattern="0"></BondColor>
<BondColor BondOrder="3" red="0.00646983" green="0.0517739" blue="0.573175" pattern="0"></BondColor>
<BondColor BondOrder="4" red="0.00836194" green="0.45536" blue="0.0945907" pattern="0"></BondColor>
</MoleculeDisplayPreferences>
<FileOptions SetFileCreator="true" CreateCustomIcon="true" PromptToSaveChanges="true" UseNativeEOLChars="true" SetBondOrder="true" CreateHydrogenBonds="true" ReadEverynDRCPoints="0" AutoCreateBonds="true" AutoBondTolerance="0.011" MaxBondLength="0" PreventHHBonds="true"></FileOptions>
<AtomPreferences>
<Atom Number="1" Size="37" Mass="1.0039" Label="H">
<Color red="1" green="1" blue="1" pattern="0"></Color>
</Atom>
<Atom Number="2" Size="31" Mass="2.0005" Label="He">
<Color red="1" green="1" blue="1" pattern="5"></Color>
</Atom>
<Atom Number="3" Size="152" Mass="2.6346" Label="Li">
<Color red="0.657893" green="0.657893" blue="0.657893" pattern="0"></Color>
</Atom>
<Atom Number="4" Size="112" Mass="3.00203" Label="Be">
<Color red="0.549325" green="0.549325" blue="0.549325" pattern="0"></Color>
</Atom>
<Atom Number="5" Size="85" Mass="3.288" Label="B">
<Color red="0" green="0.322347" blue="0.322347" pattern="0"></Color>
</Atom>
<Atom Number="6" Size="77" Mass="3.46569" Label="C">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="0"></Color>
</Atom>
<Atom Number="7" Size="70" Mass="3.7426" Label="N">
<Color red="0" green="0" blue="1" pattern="8"></Color>
</Atom>
<Atom Number="8" Size="73" Mass="3.9999" Label="O">
<Color red="1" green="0" blue="0" pattern="37"></Color>
</Atom>
<Atom Number="9" Size="72" Mass="4.3587" Label="F">
<Color red="0" green="1" blue="0.370642" pattern="0"></Color>
</Atom>
<Atom Number="10" Size="71" Mass="4.4922" Label="Ne">
<Color red="1" green="0" blue="0.370642" pattern="0"></Color>
</Atom>
<Atom Number="11" Size="186" Mass="4.7948" Label="Na">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="2"></Color>
</Atom>
<Atom Number="12" Size="160" Mass="4.93" Label="Mg">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="3"></Color>
</Atom>
<Atom Number="13" Size="143" Mass="5.19438" Label="Al">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="4"></Color>
</Atom>
<Atom Number="14" Size="118" Mass="5.29958" Label="Si">
<Color red="0" green="0.259373" blue="0.762936" pattern="6"></Color>
</Atom>
<Atom Number="15" Size="110" Mass="5.5654" Label="P">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="7"></Color>
</Atom>
<Atom Number="16" Size="103" Mass="5.6627" Label="S">
<Color red="1" green="1" blue="0" pattern="8"></Color>
</Atom>
<Atom Number="17" Size="99" Mass="5.9542" Label="Cl">
<Color red="0" green="0.697368" blue="0" pattern="9"></Color>
</Atom>
<Atom Number="18" Size="98" Mass="6.3204" Label="Ar">
<Color red="0.762936" green="0" blue="0" pattern="10"></Color>
</Atom>
<Atom Number="19" Size="227" Mass="6.2529" Label="K">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="11"></Color>
</Atom>
<Atom Number="20" Size="197" Mass="6.3307" Label="Ca">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="12"></Color>
</Atom>
<Atom Number="21" Size="163" Mass="6.7049" Label="Sc">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="13"></Color>
</Atom>
<Atom Number="22" Size="147" Mass="6.9195" Label="Ti">
<Color red="0.635935" green="1" blue="0" pattern="14"></Color>
</Atom>
<Atom Number="23" Size="134" Mass="7.1373" Label="V">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="15"></Color>
</Atom>
<Atom Number="24" Size="130" Mass="7.2108" Label="Cr">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="16"></Color>
</Atom>
<Atom Number="25" Size="130" Mass="7.4115" Label="Mn">
<Color red="1" green="1" blue="1" pattern="17"></Color>
</Atom>
<Atom Number="26" Size="127" Mass="7.4731" Label="Fe">
<Color red="0.549981" green="0" blue="0" pattern="18"></Color>
</Atom>
<Atom Number="27" Size="125" Mass="7.6768" Label="Co">
<Color red="0.500008" green="0.500008" blue="0.500008" pattern="19"></Color>
</Atom>
<Atom Number="28" Size="124" Mass="7.6609" Label="Ni">
<Color red="0.500008" green="0.500008" blue="0.500008" pattern="20"></Color>
</Atom>
<Atom Number="29" Size="128" Mass="7.9716" Label="Cu">
<Color red="1" green="0.4" blue="0" pattern="21"></Color>
</Atom>
<Atom Number="30" Size="138" Mass="8.0864" Label="Zn">
<Color red="0.457771" green="0.457771" blue="0.457771" pattern="22"></Color>
</Atom>
<Atom Number="31" Size="135" Mass="8.35" Label="Ga">
<Color red="0.269688" green="0.269688" blue="0" pattern="23"></Color>
</Atom>
<Atom Number="32" Size="122" Mass="8.5212" Label="Ge">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="24"></Color>
</Atom>
<Atom Number="33" Size="120" Mass="8.6557" Label="As">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="25"></Color>
</Atom>
<Atom Number="34" Size="119" Mass="8.8859" Label="Se">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="26"></Color>
</Atom>
<Atom Number="35" Size="114" Mass="8.9389" Label="Br">
<Color red="0" green="0" blue="0.152575" pattern="27"></Color>
</Atom>
<Atom Number="36" Size="112" Mass="9.1542" Label="Kr">
<Color red="0.269688" green="0" blue="0" pattern="28"></Color>
</Atom>
<Atom Number="37" Size="248" Mass="9.2449" Label="Rb">
<Color red="0" green="0" blue="0" pattern="29"></Color>
</Atom>
<Atom Number="38" Size="215" Mass="9.3606" Label="Sr">
<Color red="0" green="0" blue="0" pattern="30"></Color>
</Atom>
<Atom Number="39" Size="181" Mass="9.429" Label="Y">
<Color red="0" green="0" blue="0" pattern="31"></Color>
</Atom>
<Atom Number="40" Size="160" Mass="9.5511" Label="Zr">
<Color red="0" green="0" blue="0" pattern="32"></Color>
</Atom>
<Atom Number="41" Size="148" Mass="9.6388" Label="Nb">
<Color red="0" green="0" blue="0" pattern="33"></Color>
</Atom>
<Atom Number="42" Size="139" Mass="9.7949" Label="Mo">
<Color red="0" green="0" blue="0" pattern="34"></Color>
</Atom>
<Atom Number="43" Size="136" Mass="9.8995" Label="Tc">
<Color red="0" green="0" blue="0" pattern="35"></Color>
</Atom>
<Atom Number="44" Size="134" Mass="10.0533" Label="Ru">
<Color red="0" green="0" blue="0" pattern="36"></Color>
</Atom>
<Atom Number="45" Size="135" Mass="10.1442" Label="Rh">
<Color red="0" green="0" blue="0" pattern="37"></Color>
</Atom>
<Atom Number="46" Size="138" Mass="10.316" Label="Pd">
<Color red="0.269688" green="0.269688" blue="0.269688" pattern="38"></Color>
</Atom>
<Atom Number="47" Size="141" Mass="10.3859" Label="Ag">
<Color red="0.457771" green="0.457771" blue="0.457771" pattern="39"></Color>
</Atom>
<Atom Number="48" Size="150" Mass="10.6024" Label="Cd">
<Color red="0" green="0" blue="0" pattern="10"></Color>
</Atom>
<Atom Number="49" Size="167" Mass="10.7154" Label="In">
<Color red="0" green="0" blue="0" pattern="11"></Color>
</Atom>
<Atom Number="50" Size="140" Mass="10.8954" Label="Sn">
<Color red="0" green="0" blue="0" pattern="12"></Color>
</Atom>
<Atom Number="51" Size="140" Mass="11.034" Label="Sb">
<Color red="0" green="0" blue="0" pattern="13"></Color>
</Atom>
<Atom Number="52" Size="142" Mass="11.296" Label="Te">
<Color red="0" green="0" blue="0" pattern="14"></Color>
</Atom>
<Atom Number="53" Size="133" Mass="11.2652" Label="I">
<Color red="0" green="0" blue="0" pattern="15"></Color>
</Atom>
<Atom Number="54" Size="131" Mass="11.4582" Label="Xe">
<Color red="0" green="0" blue="0" pattern="16"></Color>
</Atom>
<Atom Number="55" Size="265" Mass="11.5285" Label="Cs">
<Color red="0" green="0" blue="0" pattern="17"></Color>
</Atom>
<Atom Number="56" Size="222" Mass="11.7187" Label="Ba">
<Color red="0" green="0" blue="0" pattern="18"></Color>
</Atom>
<Atom Number="57" Size="182" Mass="11.7858" Label="La">
<Color red="0" green="0" blue="0" pattern="19"></Color>
</Atom>
<Atom Number="58" Size="182" Mass="11.837" Label="Ce">
<Color red="0" green="0" blue="0" pattern="20"></Color>
</Atom>
<Atom Number="59" Size="182" Mass="11.8705" Label="Pr">
<Color red="0" green="0" blue="0" pattern="21"></Color>
</Atom>
<Atom Number="60" Size="181" Mass="12.01" Label="Nd">
<Color red="0" green="0" blue="0" pattern="22"></Color>
</Atom>
<Atom Number="61" Size="181" Mass="12.0416" Label="Pm">
<Color red="0" green="0" blue="0" pattern="23"></Color>
</Atom>
<Atom Number="62" Size="181" Mass="12.2621" Label="Sm">
<Color red="0" green="0" blue="0" pattern="24"></Color>
</Atom>
<Atom Number="63" Size="180" Mass="12.3274" Label="Eu">
<Color red="0" green="0" blue="0" pattern="25"></Color>
</Atom>
<Atom Number="64" Size="180" Mass="12.5399" Label="Gd">
<Color red="0" green="0" blue="0" pattern="26"></Color>
</Atom>
<Atom Number="65" Size="180" Mass="12.6066" Label="Tb">
<Color red="0" green="0" blue="0" pattern="27"></Color>
</Atom>
<Atom Number="66" Size="179" Mass="12.7475" Label="Dy">
<Color red="0" green="0" blue="0" pattern="28"></Color>
</Atom>
<Atom Number="67" Size="178" Mass="12.8425" Label="Ho">
<Color red="0" green="0" blue="0" pattern="29"></Color>
</Atom>
<Atom Number="68" Size="177" Mass="12.9329" Label="Er">
<Color red="0" green="0" blue="0" pattern="30"></Color>
</Atom>
<Atom Number="69" Size="176" Mass="12.9975" Label="Tm">
<Color red="0" green="0" blue="0" pattern="31"></Color>
</Atom>
<Atom Number="70" Size="175" Mass="13.1544" Label="Yb">
<Color red="0" green="0" blue="0" pattern="32"></Color>
</Atom>
<Atom Number="71" Size="174" Mass="13.2275" Label="Lu">
<Color red="0" green="0" blue="0" pattern="33"></Color>
</Atom>
<Atom Number="72" Size="160" Mass="13.3604" Label="Hf">
<Color red="0" green="0" blue="0" pattern="34"></Color>
</Atom>
<Atom Number="73" Size="148" Mass="13.4499" Label="Ta">
<Color red="0" green="0" blue="0" pattern="35"></Color>
</Atom>
<Atom Number="74" Size="139" Mass="13.561" Label="W">
<Color red="0" green="0" blue="0" pattern="36"></Color>
</Atom>
<Atom Number="75" Size="137" Mass="13.6455" Label="Re">
<Color red="0" green="0" blue="0" pattern="37"></Color>
</Atom>
<Atom Number="76" Size="136" Mass="13.7913" Label="Os">
<Color red="0" green="0" blue="0" pattern="38"></Color>
</Atom>
<Atom Number="77" Size="136" Mass="13.8636" Label="Ir">
<Color red="0" green="0" blue="0" pattern="39"></Color>
</Atom>
<Atom Number="78" Size="139" Mass="13.9678" Label="Pt">
<Color red="0" green="0" blue="0" pattern="2"></Color>
</Atom>
<Atom Number="79" Size="142" Mass="14.0357" Label="Au">
<Color red="0" green="0" blue="0" pattern="3"></Color>
</Atom>
<Atom Number="80" Size="151" Mass="14.1633" Label="Hg">
<Color red="0" green="0" blue="0" pattern="4"></Color>
</Atom>
<Atom Number="81" Size="170" Mass="14.2969" Label="Tl">
<Color red="0" green="0" blue="0" pattern="5"></Color>
</Atom>
<Atom Number="82" Size="146" Mass="14.3944" Label="Pb">
<Color red="0" green="0" blue="0" pattern="6"></Color>
</Atom>
<Atom Number="83" Size="150" Mass="14.4568" Label="Bi">
<Color red="0" green="0" blue="0" pattern="7"></Color>
</Atom>
<Atom Number="84" Size="168" Mass="14.4914" Label="Po">
<Color red="0" green="0" blue="0" pattern="8"></Color>
</Atom>
<Atom Number="85" Size="140" Mass="14.4914" Label="At">
<Color red="0" green="0" blue="0" pattern="9"></Color>
</Atom>
<Atom Number="86" Size="141" Mass="14.8997" Label="Rn">
<Color red="0" green="0" blue="0" pattern="10"></Color>
</Atom>
<Atom Number="87" Size="280" Mass="14.9332" Label="Fr">
<Color red="0" green="0" blue="0" pattern="11"></Color>
</Atom>
<Atom Number="88" Size="230" Mass="15.0341" Label="Ra">
<Color red="0" green="0" blue="0" pattern="12"></Color>
</Atom>
<Atom Number="89" Size="183" Mass="15.0674" Label="Ac">
<Color red="0" green="0" blue="0" pattern="13"></Color>
</Atom>
<Atom Number="90" Size="182" Mass="15.2328" Label="Th">
<Color red="0" green="0" blue="0" pattern="14"></Color>
</Atom>
<Atom Number="91" Size="182" Mass="15.1999" Label="Pa">
<Color red="0" green="0" blue="0" pattern="15"></Color>
</Atom>
<Atom Number="92" Size="182" Mass="15.4282" Label="U">
<Color red="0" green="0" blue="0" pattern="16"></Color>
</Atom>
<Atom Number="93" Size="182" Mass="15.3964" Label="Np">
<Color red="0" green="0" blue="0" pattern="17"></Color>
</Atom>
<Atom Number="94" Size="182" Mass="15.6205" Label="Pu">
<Color red="0" green="0" blue="0" pattern="18"></Color>
</Atom>
<Atom Number="95" Size="182" Mass="15.5885" Label="Am">
<Color red="0" green="0" blue="0" pattern="19"></Color>
</Atom>
<Atom Number="96" Size="182" Mass="15.7162" Label="Cm">
<Color red="0" green="0" blue="0" pattern="20"></Color>
</Atom>
<Atom Number="97" Size="181" Mass="15.7162" Label="Bk">
<Color red="0" green="0" blue="0" pattern="21"></Color>
</Atom>
<Atom Number="98" Size="181" Mass="15.843" Label="Cf">
<Color red="0" green="0" blue="0" pattern="22"></Color>
</Atom>
<Atom Number="99" Size="180" Mass="15.8745" Label="Es">
<Color red="0" green="0" blue="0" pattern="23"></Color>
</Atom>
<Atom Number="100" Size="180" Mass="16.0312" Label="Fm">
<Color red="0" green="0" blue="0" pattern="24"></Color>
</Atom>
<Atom Number="101" Size="179" Mass="16.0624" Label="Md">
<Color red="0" green="0" blue="0" pattern="25"></Color>
</Atom>
<Atom Number="102" Size="178" Mass="16.0935" Label="No">
<Color red="0" green="0" blue="0" pattern="26"></Color>
</Atom>
<Atom Number="103" Size="177" Mass="16.1245" Label="Lr">
<Color red="0" green="0" blue="0" pattern="27"></Color>
</Atom>
<Atom Number="104" Size="166" Mass="16.1245" Label="Rf">
<Color red="0" green="0" blue="0" pattern="28"></Color>
</Atom>
<Atom Number="105" Size="155" Mass="16.1864" Label="Db">
<Color red="0" green="0" blue="0" pattern="29"></Color>
</Atom>
<Atom Number="106" Size="145" Mass="16.2173" Label="Sg">
<Color red="0" green="0" blue="0" pattern="30"></Color>
</Atom>
<Atom Number="107" Size="143" Mass="16.1864" Label="Bh">
<Color red="0" green="0" blue="0" pattern="31"></Color>
</Atom>
<Atom Number="108" Size="140" Mass="16.2788" Label="Hs">
<Color red="0" green="0" blue="0" pattern="32"></Color>
</Atom>
<Atom Number="109" Size="140" Mass="16.3095" Label="Mt">
<Color red="0" green="0" blue="0" pattern="33"></Color>
</Atom>
<Atom Number="110" Size="140" Mass="0" Label="un">
<Color red="0" green="0" blue="0" pattern="34"></Color>
</Atom>
<Atom Number="111" Size="140" Mass="0" Label="un">
<Color red="0" green="0" blue="0" pattern="35"></Color>
</Atom>
<Atom Number="112" Size="145" Mass="0" Label="un">
<Color red="0" green="0" blue="0" pattern="36"></Color>
</Atom>
<Atom Number="113" Size="150" Mass="0" Label="un">
<Color red="0" green="0" blue="0" pattern="37"></Color>
</Atom>
<Atom Number="114" Size="147" Mass="0" Label="un">
<Color red="0" green="0" blue="0" pattern="38"></Color>
</Atom>
<Atom Number="115" Size="30" Mass="0" Label="G">
<Color red="0" green="0" blue="0" pattern="39"></Color>
</Atom>
<Atom Number="116" Size="25" Mass="0" Label="*C">
<Color red="0" green="0" blue="0" pattern="36"></Color>
</Atom>
<Atom Number="117" Size="25" Mass="0">
<Color red="0" green="0" blue="0" pattern="3"></Color>
</Atom>
<Atom Number="118" Size="25" Mass="0">
<Color red="0" green="0" blue="0" pattern="4"></Color>
</Atom>
<Atom Number="119" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="5"></Color>
</Atom>
<Atom Number="120" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="121" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="122" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="123" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="124" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="125" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="126" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="127" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="128" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="129" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
<Atom Number="130" Size="0" Mass="0">
<Color red="0" green="0" blue="0" pattern="0"></Color>
</Atom>
</AtomPreferences>
<EnergyWindowPreferences y1Zero="0" y2Zero="0" YAdjustmentFactor="1" IndicatorSize="8" NumberDigits="4" PlotTotalEnergy="true" PlotMPEnergy="false" PlotKineticEnergy="false" PlotPotentialEnergy="false" UseKCal="false" PlotRMSGradient="false" PlotMaximumGradient="false" PlotBondLength="false" PlotBondAngle="false" PlotDihedralAngle="false" Atom1="0" Atom2="0" Atom3="0" Atom4="0">
<TEColor red="0" green="0" blue="0.915511"></TEColor>
<MPColor red="0" green="0.610361" blue="0"></MPColor>
<KEColor red="0.686656" green="0" blue="0.793454"></KEColor>
<PEColor red="0.915511" green="0.915511" blue="0"></PEColor>
</EnergyWindowPreferences>
<SurfaceWindowOptions NumberContours="25" NumberGridPoints="30" GridSize="1" MaximumContourValue="1" ShowZeroContour="true" Rotate2DMap="true" Show2DHashMarks="false">
<PositiveContourColor red="1" green="0" blue="0"></PositiveContourColor>
<NegativeContourColor red="0" green="0" blue="1"></NegativeContourColor>
</SurfaceWindowOptions>
</metadata>
<metadata name="WindowInformation">
<MoleculeDisplayWindow x="0" y="22" width="400" height="440"></MoleculeDisplayWindow>
<EnergyPlotWindow x="23" y="104" width="373" height="287" visible="false"></EnergyPlotWindow>
</metadata>
</metadataList>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.293365" y3="-1.168587" z3="-0.726033"></atom>
<atom id="a1" elementType="H" x3="0.695486" y3="-1.873833" z3="-1.279077"></atom>
<atom id="a2" elementType="H" x3="2.144153" y3="-0.885834" z3="-1.331818"></atom>
<atom id="a3" elementType="C" x3="0.528613" y3="0.048413" z3="-0.222444"></atom>
<atom id="a4" elementType="N" x3="-0.859552" y3="0.078038" z3="-0.434082"></atom>
<atom id="a5" elementType="C" x3="-1.530735" y3="-1.214603" z3="-0.188396"></atom>
<atom id="a6" elementType="H" x3="-1.193432" y3="-1.629191" z3="0.753191"></atom>
<atom id="a7" elementType="H" x3="-1.327706" y3="-1.908146" z3="-0.989722"></atom>
<atom id="a8" elementType="H" x3="-2.598411" y3="-1.052473" z3="-0.154669"></atom>
<atom id="a9" elementType="C" x3="-1.520821" y3="1.211459" z3="0.234650"></atom>
<atom id="a10" elementType="H" x3="-1.255920" y3="1.237424" z3="1.287760"></atom>
<atom id="a11" elementType="H" x3="-2.591237" y3="1.100231" z3="0.147564"></atom>
<atom id="a12" elementType="H" x3="-1.242864" y3="2.145550" z3="-0.230245"></atom>
<atom id="a13" elementType="H" x3="0.771413" y3="0.338451" z3="2.114221"></atom>
<atom id="a14" elementType="O" x3="0.826491" y3="-0.372651" z3="1.452994"></atom>
<atom id="a15" elementType="H" x3="1.646301" y3="-1.627955" z3="0.181249"></atom>
<atom id="a16" elementType="C" x3="1.227753" y3="1.388392" z3="-0.455083"></atom>
<atom id="a17" elementType="H" x3="2.296628" y3="1.233972" z3="-0.440053"></atom>
<atom id="a18" elementType="H" x3="0.982608" y3="2.078859" z3="0.338745"></atom>
<atom id="a19" elementType="H" x3="0.939393" y3="1.822905" z3="-1.404197"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a16 a3" order="S"></bond>
<bond id="b6" atomRefs2="a5 a4" order="S"></bond>
<bond id="b7" atomRefs2="a9 a4" order="S"></bond>
<bond id="b8" atomRefs2="a6 a5" order="S"></bond>
<bond id="b9" atomRefs2="a7 a5" order="S"></bond>
<bond id="b10" atomRefs2="a8 a5" order="S"></bond>
<bond id="b11" atomRefs2="a10 a9" order="S"></bond>
<bond id="b12" atomRefs2="a11 a9" order="S"></bond>
<bond id="b13" atomRefs2="a12 a9" order="S"></bond>
<bond id="b14" atomRefs2="a14 a13" order="S"></bond>
<bond id="b15" atomRefs2="a17 a16" order="S"></bond>
<bond id="b16" atomRefs2="a18 a16" order="S"></bond>
<bond id="b17" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243518045e+02</scalar>
<scalar title="Time">2.98876</scalar>
<scalar title="Reaction Coordinate">10</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.295234" y3="-1.170265" z3="-0.730010"></atom>
<atom id="a1" elementType="H" x3="0.688079" y3="-1.860164" z3="-1.292256"></atom>
<atom id="a2" elementType="H" x3="2.138597" y3="-0.877669" z3="-1.341694"></atom>
<atom id="a3" elementType="C" x3="0.536993" y3="0.041896" z3="-0.192594"></atom>
<atom id="a4" elementType="N" x3="-0.859010" y3="0.077595" z3="-0.432673"></atom>
<atom id="a5" elementType="C" x3="-1.532067" y3="-1.214300" z3="-0.187504"></atom>
<atom id="a6" elementType="H" x3="-1.200546" y3="-1.633425" z3="0.754487"></atom>
<atom id="a7" elementType="H" x3="-1.328017" y3="-1.908048" z3="-0.988451"></atom>
<atom id="a8" elementType="H" x3="-2.600028" y3="-1.052323" z3="-0.156353"></atom>
<atom id="a9" elementType="C" x3="-1.522585" y3="1.211197" z3="0.234544"></atom>
<atom id="a10" elementType="H" x3="-1.266952" y3="1.242571" z3="1.290203"></atom>
<atom id="a11" elementType="H" x3="-2.592899" y3="1.100989" z3="0.142930"></atom>
<atom id="a12" elementType="H" x3="-1.242718" y3="2.144914" z3="-0.230073"></atom>
<atom id="a13" elementType="H" x3="0.751040" y3="0.364839" z3="2.071437"></atom>
<atom id="a14" elementType="O" x3="0.822369" y3="-0.365476" z3="1.434875"></atom>
<atom id="a15" elementType="H" x3="1.661130" y3="-1.655924" z3="0.158250"></atom>
<atom id="a16" elementType="C" x3="1.229059" y3="1.386081" z3="-0.451011"></atom>
<atom id="a17" elementType="H" x3="2.299372" y3="1.239123" z3="-0.438716"></atom>
<atom id="a18" elementType="H" x3="0.983684" y3="2.090653" z3="0.331231"></atom>
<atom id="a19" elementType="H" x3="0.932841" y3="1.801320" z3="-1.405972"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a16 a3" order="S"></bond>
<bond id="b6" atomRefs2="a5 a4" order="S"></bond>
<bond id="b7" atomRefs2="a9 a4" order="S"></bond>
<bond id="b8" atomRefs2="a6 a5" order="S"></bond>
<bond id="b9" atomRefs2="a7 a5" order="S"></bond>
<bond id="b10" atomRefs2="a8 a5" order="S"></bond>
<bond id="b11" atomRefs2="a10 a9" order="S"></bond>
<bond id="b12" atomRefs2="a11 a9" order="S"></bond>
<bond id="b13" atomRefs2="a12 a9" order="S"></bond>
<bond id="b14" atomRefs2="a14 a13" order="S"></bond>
<bond id="b15" atomRefs2="a17 a16" order="S"></bond>
<bond id="b16" atomRefs2="a18 a16" order="S"></bond>
<bond id="b17" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243600924e+02</scalar>
<scalar title="Time">3.28861</scalar>
<scalar title="Reaction Coordinate">11</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.297054" y3="-1.171613" z3="-0.734141"></atom>
<atom id="a1" elementType="H" x3="0.680301" y3="-1.845455" z3="-1.305377"></atom>
<atom id="a2" elementType="H" x3="2.132966" y3="-0.868709" z3="-1.351166"></atom>
<atom id="a3" elementType="C" x3="0.545623" y3="0.035097" z3="-0.163508"></atom>
<atom id="a4" elementType="N" x3="-0.857769" y3="0.076930" z3="-0.430438"></atom>
<atom id="a5" elementType="C" x3="-1.533615" y3="-1.214029" z3="-0.186504"></atom>
<atom id="a6" elementType="H" x3="-1.208401" y3="-1.637692" z3="0.756043"></atom>
<atom id="a7" elementType="H" x3="-1.328279" y3="-1.907969" z3="-0.987013"></atom>
<atom id="a8" elementType="H" x3="-2.601797" y3="-1.051770" z3="-0.158512"></atom>
<atom id="a9" elementType="C" x3="-1.524518" y3="1.210909" z3="0.234414"></atom>
<atom id="a10" elementType="H" x3="-1.278840" y3="1.247473" z3="1.292746"></atom>
<atom id="a11" elementType="H" x3="-2.594609" y3="1.101581" z3="0.137268"></atom>
<atom id="a12" elementType="H" x3="-1.242338" y3="2.144215" z3="-0.229718"></atom>
<atom id="a13" elementType="H" x3="0.731480" y3="0.386985" z3="2.032277"></atom>
<atom id="a14" elementType="O" x3="0.817883" y3="-0.357351" z3="1.416024"></atom>
<atom id="a15" elementType="H" x3="1.674912" y3="-1.682826" z3="0.134941"></atom>
<atom id="a16" elementType="C" x3="1.230447" y3="1.383099" z3="-0.446408"></atom>
<atom id="a17" elementType="H" x3="2.302209" y3="1.244195" z3="-0.436889"></atom>
<atom id="a18" elementType="H" x3="0.984120" y3="2.101896" z3="0.323453"></atom>
<atom id="a19" elementType="H" x3="0.926312" y3="1.777903" z3="-1.407211"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a16 a3" order="S"></bond>
<bond id="b6" atomRefs2="a5 a4" order="S"></bond>
<bond id="b7" atomRefs2="a9 a4" order="S"></bond>
<bond id="b8" atomRefs2="a6 a5" order="S"></bond>
<bond id="b9" atomRefs2="a7 a5" order="S"></bond>
<bond id="b10" atomRefs2="a8 a5" order="S"></bond>
<bond id="b11" atomRefs2="a10 a9" order="S"></bond>
<bond id="b12" atomRefs2="a11 a9" order="S"></bond>
<bond id="b13" atomRefs2="a12 a9" order="S"></bond>
<bond id="b14" atomRefs2="a14 a13" order="S"></bond>
<bond id="b15" atomRefs2="a17 a16" order="S"></bond>
<bond id="b16" atomRefs2="a18 a16" order="S"></bond>
<bond id="b17" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243677386e+02</scalar>
<scalar title="Time">3.58844</scalar>
<scalar title="Reaction Coordinate">12</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.298832" y3="-1.172579" z3="-0.738652"></atom>
<atom id="a1" elementType="H" x3="0.672072" y3="-1.829196" z3="-1.318881"></atom>
<atom id="a2" elementType="H" x3="2.127298" y3="-0.858758" z3="-1.360340"></atom>
<atom id="a3" elementType="C" x3="0.554543" y3="0.028097" z3="-0.135615"></atom>
<atom id="a4" elementType="N" x3="-0.855760" y3="0.075984" z3="-0.427192"></atom>
<atom id="a5" elementType="C" x3="-1.535418" y3="-1.213774" z3="-0.185324"></atom>
<atom id="a6" elementType="H" x3="-1.217365" y3="-1.642036" z3="0.757994"></atom>
<atom id="a7" elementType="H" x3="-1.328474" y3="-1.907966" z3="-0.985264"></atom>
<atom id="a8" elementType="H" x3="-2.603726" y3="-1.050638" z3="-0.161346"></atom>
<atom id="a9" elementType="C" x3="-1.526655" y3="1.210552" z3="0.234224"></atom>
<atom id="a10" elementType="H" x3="-1.292072" y3="1.252144" z3="1.295393"></atom>
<atom id="a11" elementType="H" x3="-2.596317" y3="1.101948" z3="0.130134"></atom>
<atom id="a12" elementType="H" x3="-1.241643" y3="2.143420" z3="-0.229107"></atom>
<atom id="a13" elementType="H" x3="0.711946" y3="0.405725" z3="1.997023"></atom>
<atom id="a14" elementType="O" x3="0.813046" y3="-0.348201" z3="1.396743"></atom>
<atom id="a15" elementType="H" x3="1.687661" y3="-1.709085" z3="0.110705"></atom>
<atom id="a16" elementType="C" x3="1.231963" y3="1.379278" z3="-0.441205"></atom>
<atom id="a17" elementType="H" x3="2.305170" y3="1.249081" z3="-0.434139"></atom>
<atom id="a18" elementType="H" x3="0.983603" y3="2.112320" z3="0.315300"></atom>
<atom id="a19" elementType="H" x3="0.920229" y3="1.752382" z3="-1.407855"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243744173e+02</scalar>
<scalar title="Time">3.8882</scalar>
<scalar title="Reaction Coordinate">13</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.300582" y3="-1.173021" z3="-0.744013"></atom>
<atom id="a1" elementType="H" x3="0.663242" y3="-1.810616" z3="-1.333809"></atom>
<atom id="a2" elementType="H" x3="2.121738" y3="-0.847480" z3="-1.369446"></atom>
<atom id="a3" elementType="C" x3="0.563795" y3="0.021015" z3="-0.109723"></atom>
<atom id="a4" elementType="N" x3="-0.852798" y3="0.074615" z3="-0.422541"></atom>
<atom id="a5" elementType="C" x3="-1.537575" y3="-1.213515" z3="-0.183810"></atom>
<atom id="a6" elementType="H" x3="-1.228173" y3="-1.646494" z3="0.760674"></atom>
<atom id="a7" elementType="H" x3="-1.328528" y3="-1.908150" z3="-0.982904"></atom>
<atom id="a8" elementType="H" x3="-2.605869" y3="-1.048579" z3="-0.165313"></atom>
<atom id="a9" elementType="C" x3="-1.529081" y3="1.210031" z3="0.233901"></atom>
<atom id="a10" elementType="H" x3="-1.307597" y3="1.256503" z3="1.298252"></atom>
<atom id="a11" elementType="H" x3="-2.598015" y3="1.101997" z3="0.120538"></atom>
<atom id="a12" elementType="H" x3="-1.240391" y3="2.142454" z3="-0.228088"></atom>
<atom id="a13" elementType="H" x3="0.691171" y3="0.421651" z3="1.966003"></atom>
<atom id="a14" elementType="O" x3="0.807861" y3="-0.337777" z3="1.377572"></atom>
<atom id="a15" elementType="H" x3="1.699155" y3="-1.735272" z3="0.084690"></atom>
<atom id="a16" elementType="C" x3="1.233731" y3="1.374252" z3="-0.435253"></atom>
<atom id="a17" elementType="H" x3="2.308367" y3="1.253539" z3="-0.429476"></atom>
<atom id="a18" elementType="H" x3="0.981480" y3="2.121572" z3="0.306686"></atom>
<atom id="a19" elementType="H" x3="0.915466" y3="1.724355" z3="-1.408080"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243798021e+02</scalar>
<scalar title="Time">4.1877</scalar>
<scalar title="Reaction Coordinate">14</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.302261" y3="-1.172588" z3="-0.751304"></atom>
<atom id="a1" elementType="H" x3="0.653894" y3="-1.788289" z3="-1.352194"></atom>
<atom id="a2" elementType="H" x3="2.116881" y3="-0.834442" z3="-1.378595"></atom>
<atom id="a3" elementType="C" x3="0.573295" y3="0.014100" z3="-0.087445"></atom>
<atom id="a4" elementType="N" x3="-0.848683" y3="0.072560" z3="-0.415831"></atom>
<atom id="a5" elementType="C" x3="-1.540255" y3="-1.213210" z3="-0.181614"></atom>
<atom id="a6" elementType="H" x3="-1.242316" y3="-1.650882" z3="0.764857"></atom>
<atom id="a7" elementType="H" x3="-1.328092" y3="-1.908850" z3="-0.979132"></atom>
<atom id="a8" elementType="H" x3="-2.608280" y3="-1.044979" z3="-0.171424"></atom>
<atom id="a9" elementType="C" x3="-1.531966" y3="1.209133" z3="0.233244"></atom>
<atom id="a10" elementType="H" x3="-1.327430" y3="1.260189" z3="1.301366"></atom>
<atom id="a11" elementType="H" x3="-2.599571" y3="1.101667" z3="0.106364"></atom>
<atom id="a12" elementType="H" x3="-1.237952" y3="2.141136" z3="-0.226255"></atom>
<atom id="a13" elementType="H" x3="0.666670" y3="0.435953" z3="1.939407"></atom>
<atom id="a14" elementType="O" x3="0.802511" y3="-0.325776" z3="1.359966"></atom>
<atom id="a15" elementType="H" x3="1.708415" y3="-1.761935" z3="0.055415"></atom>
<atom id="a16" elementType="C" x3="1.236048" y3="1.367449" z3="-0.428472"></atom>
<atom id="a17" elementType="H" x3="2.312034" y3="1.256919" z3="-0.420526"></atom>
<atom id="a18" elementType="H" x3="0.976521" y3="2.128604" z3="0.297309"></atom>
<atom id="a19" elementType="H" x3="0.914563" y3="1.693701" z3="-1.408185"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243836284e+02</scalar>
<scalar title="Time">4.48607</scalar>
<scalar title="Reaction Coordinate">15</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.303493" y3="-1.170458" z3="-0.762420"></atom>
<atom id="a1" elementType="H" x3="0.645243" y3="-1.760167" z3="-1.378348"></atom>
<atom id="a2" elementType="H" x3="2.115345" y3="-0.819656" z3="-1.386446"></atom>
<atom id="a3" elementType="C" x3="0.581956" y3="0.008062" z3="-0.072171"></atom>
<atom id="a4" elementType="N" x3="-0.843674" y3="0.069434" z3="-0.406522"></atom>
<atom id="a5" elementType="C" x3="-1.543593" y3="-1.212856" z3="-0.177956"></atom>
<atom id="a6" elementType="H" x3="-1.262090" y3="-1.653665" z3="0.772547"></atom>
<atom id="a7" elementType="H" x3="-1.325593" y3="-1.911207" z3="-0.971676"></atom>
<atom id="a8" elementType="H" x3="-2.610935" y3="-1.039452" z3="-0.181786"></atom>
<atom id="a9" elementType="C" x3="-1.535567" y3="1.207434" z3="0.231666"></atom>
<atom id="a10" elementType="H" x3="-1.354852" y3="1.261569" z3="1.304534"></atom>
<atom id="a11" elementType="H" x3="-2.600705" y3="1.101490" z3="0.083618"></atom>
<atom id="a12" elementType="H" x3="-1.232604" y3="2.139136" z3="-0.222562"></atom>
<atom id="a13" elementType="H" x3="0.635484" y3="0.449461" z3="1.918358"></atom>
<atom id="a14" elementType="O" x3="0.798081" y3="-0.312505" z3="1.347679"></atom>
<atom id="a15" elementType="H" x3="1.711381" y3="-1.788969" z3="0.022075"></atom>
<atom id="a16" elementType="C" x3="1.239643" y3="1.358520" z3="-0.421375"></atom>
<atom id="a17" elementType="H" x3="2.316543" y3="1.257336" z3="-0.401872"></atom>
<atom id="a18" elementType="H" x3="0.966793" y3="2.131803" z3="0.286831"></atom>
<atom id="a19" elementType="H" x3="0.924074" y3="1.662791" z3="-1.409972"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243859087e+02</scalar>
<scalar title="Time">4.77979</scalar>
<scalar title="Reaction Coordinate">16</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.303246" y3="-1.166200" z3="-0.777098"></atom>
<atom id="a1" elementType="H" x3="0.640182" y3="-1.725781" z3="-1.415883"></atom>
<atom id="a2" elementType="H" x3="2.121902" y3="-0.805675" z3="-1.386531"></atom>
<atom id="a3" elementType="C" x3="0.587309" y3="0.004116" z3="-0.065750"></atom>
<atom id="a4" elementType="N" x3="-0.839658" y3="0.065513" z3="-0.396568"></atom>
<atom id="a5" elementType="C" x3="-1.547052" y3="-1.212733" z3="-0.172112"></atom>
<atom id="a6" elementType="H" x3="-1.287162" y3="-1.650826" z3="0.786116"></atom>
<atom id="a7" elementType="H" x3="-1.317456" y3="-1.917459" z3="-0.956992"></atom>
<atom id="a8" elementType="H" x3="-2.613379" y3="-1.034510" z3="-0.197975"></atom>
<atom id="a9" elementType="C" x3="-1.539988" y3="1.204827" z3="0.228430"></atom>
<atom id="a10" elementType="H" x3="-1.389621" y3="1.257718" z3="1.306521"></atom>
<atom id="a11" elementType="H" x3="-2.601226" y3="1.103554" z3="0.051248"></atom>
<atom id="a12" elementType="H" x3="-1.222611" y3="2.136504" z3="-0.215719"></atom>
<atom id="a13" elementType="H" x3="0.600974" y3="0.460045" z3="1.905187"></atom>
<atom id="a14" elementType="O" x3="0.797040" y3="-0.300754" z3="1.344031"></atom>
<atom id="a15" elementType="H" x3="1.700268" y3="-1.815145" z3="-0.011175"></atom>
<atom id="a16" elementType="C" x3="1.245081" y3="1.349538" z3="-0.415646"></atom>
<atom id="a17" elementType="H" x3="2.321666" y3="1.253124" z3="-0.370436"></atom>
<atom id="a18" elementType="H" x3="0.953471" y3="2.131740" z3="0.274759"></atom>
<atom id="a19" elementType="H" x3="0.950064" y3="1.637982" z3="-1.415172"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243872160e+02</scalar>
<scalar title="Time">5.07071</scalar>
<scalar title="Reaction Coordinate">17</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.300817" y3="-1.161032" z3="-0.790935"></atom>
<atom id="a1" elementType="H" x3="0.640570" y3="-1.683405" z3="-1.463510"></atom>
<atom id="a2" elementType="H" x3="2.139801" y3="-0.796885" z3="-1.369805"></atom>
<atom id="a3" elementType="C" x3="0.589065" y3="0.002604" z3="-0.064091"></atom>
<atom id="a4" elementType="N" x3="-0.838107" y3="0.061989" z3="-0.389305"></atom>
<atom id="a5" elementType="C" x3="-1.549483" y3="-1.213186" z3="-0.164361"></atom>
<atom id="a6" elementType="H" x3="-1.313753" y3="-1.639886" z3="0.805448"></atom>
<atom id="a7" elementType="H" x3="-1.301077" y3="-1.928529" z3="-0.933735"></atom>
<atom id="a8" elementType="H" x3="-2.614723" y3="-1.034453" z3="-0.218943"></atom>
<atom id="a9" elementType="C" x3="-1.545162" y3="1.202088" z3="0.223749"></atom>
<atom id="a10" elementType="H" x3="-1.425623" y3="1.248906" z3="1.306356"></atom>
<atom id="a11" elementType="H" x3="-2.601643" y3="1.108912" z3="0.015728"></atom>
<atom id="a12" elementType="H" x3="-1.210144" y3="2.133994" z3="-0.206353"></atom>
<atom id="a13" elementType="H" x3="0.574305" y3="0.464028" z3="1.899513"></atom>
<atom id="a14" elementType="O" x3="0.800176" y3="-0.293474" z3="1.345115"></atom>
<atom id="a15" elementType="H" x3="1.668670" y3="-1.843468" z3="-0.039320"></atom>
<atom id="a16" elementType="C" x3="1.251413" y3="1.343542" z3="-0.411921"></atom>
<atom id="a17" elementType="H" x3="2.326110" y3="1.246804" z3="-0.334084"></atom>
<atom id="a18" elementType="H" x3="0.941207" y3="2.133435" z3="0.261270"></atom>
<atom id="a19" elementType="H" x3="0.985214" y3="1.621112" z3="-1.422664"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243881599e+02</scalar>
<scalar title="Time">5.36532</scalar>
<scalar title="Reaction Coordinate">18</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.296865" y3="-1.156639" z3="-0.800648"></atom>
<atom id="a1" elementType="H" x3="0.646094" y3="-1.632097" z3="-1.516627"></atom>
<atom id="a2" elementType="H" x3="2.167246" y3="-0.796699" z3="-1.334033"></atom>
<atom id="a3" elementType="C" x3="0.589552" y3="0.002727" z3="-0.063260"></atom>
<atom id="a4" elementType="N" x3="-0.838002" y3="0.059650" z3="-0.385161"></atom>
<atom id="a5" elementType="C" x3="-1.550167" y3="-1.213931" z3="-0.156008"></atom>
<atom id="a6" elementType="H" x3="-1.338730" y3="-1.623462" z3="0.826930"></atom>
<atom id="a7" elementType="H" x3="-1.278442" y3="-1.941896" z3="-0.905451"></atom>
<atom id="a8" elementType="H" x3="-2.614165" y3="-1.039407" z3="-0.242036"></atom>
<atom id="a9" elementType="C" x3="-1.550629" y3="1.199868" z3="0.218915"></atom>
<atom id="a10" elementType="H" x3="-1.456877" y3="1.239217" z3="1.304709"></atom>
<atom id="a11" elementType="H" x3="-2.602471" y3="1.114801" z3="-0.015291"></atom>
<atom id="a12" elementType="H" x3="-1.199985" y3="2.132266" z3="-0.197079"></atom>
<atom id="a13" elementType="H" x3="0.560751" y3="0.462994" z3="1.898057"></atom>
<atom id="a14" elementType="O" x3="0.805228" y3="-0.290323" z3="1.345451"></atom>
<atom id="a15" elementType="H" x3="1.617741" y3="-1.876882" z3="-0.062530"></atom>
<atom id="a16" elementType="C" x3="1.256765" y3="1.340749" z3="-0.409514"></atom>
<atom id="a17" elementType="H" x3="2.328855" y3="1.242757" z3="-0.303857"></atom>
<atom id="a18" elementType="H" x3="0.932072" y3="2.137126" z3="0.248539"></atom>
<atom id="a19" elementType="H" x3="1.015946" y3="1.609110" z3="-1.429141"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243890150e+02</scalar>
<scalar title="Time">5.66171</scalar>
<scalar title="Reaction Coordinate">19</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.292281" y3="-1.153578" z3="-0.806793"></atom>
<atom id="a1" elementType="H" x3="0.657970" y3="-1.573997" z3="-1.570840"></atom>
<atom id="a2" elementType="H" x3="2.199707" y3="-0.805960" z3="-1.283582"></atom>
<atom id="a3" elementType="C" x3="0.590010" y3="0.003600" z3="-0.062964"></atom>
<atom id="a4" elementType="N" x3="-0.838031" y3="0.058276" z3="-0.382565"></atom>
<atom id="a5" elementType="C" x3="-1.549254" y3="-1.214604" z3="-0.148342"></atom>
<atom id="a6" elementType="H" x3="-1.361063" y3="-1.605911" z3="0.846753"></atom>
<atom id="a7" elementType="H" x3="-1.253667" y3="-1.954237" z3="-0.876958"></atom>
<atom id="a8" elementType="H" x3="-2.611497" y3="-1.046846" z3="-0.264933"></atom>
<atom id="a9" elementType="C" x3="-1.555626" y3="1.198145" z3="0.214842"></atom>
<atom id="a10" elementType="H" x3="-1.481059" y3="1.231514" z3="1.302458"></atom>
<atom id="a11" elementType="H" x3="-2.603509" y3="1.118417" z3="-0.038780"></atom>
<atom id="a12" elementType="H" x3="-1.194127" y3="2.131132" z3="-0.190095"></atom>
<atom id="a13" elementType="H" x3="0.556852" y3="0.460811" z3="1.897625"></atom>
<atom id="a14" elementType="O" x3="0.810204" y3="-0.289414" z3="1.344727"></atom>
<atom id="a15" elementType="H" x3="1.552658" y3="-1.913159" z3="-0.084357"></atom>
<atom id="a16" elementType="C" x3="1.260294" y3="1.339768" z3="-0.408231"></atom>
<atom id="a17" elementType="H" x3="2.330283" y3="1.241359" z3="-0.283287"></atom>
<atom id="a18" elementType="H" x3="0.925362" y3="2.141033" z3="0.238781"></atom>
<atom id="a19" elementType="H" x3="1.037316" y3="1.601698" z3="-1.433588"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243899186e+02</scalar>
<scalar title="Time">5.96014</scalar>
<scalar title="Reaction Coordinate">20</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.287404" y3="-1.151336" z3="-0.810791"></atom>
<atom id="a1" elementType="H" x3="0.676098" y3="-1.513128" z3="-1.622995"></atom>
<atom id="a2" elementType="H" x3="2.232142" y3="-0.822614" z3="-1.224225"></atom>
<atom id="a3" elementType="C" x3="0.590415" y3="0.004611" z3="-0.062817"></atom>
<atom id="a4" elementType="N" x3="-0.837929" y3="0.057448" z3="-0.380594"></atom>
<atom id="a5" elementType="C" x3="-1.547349" y3="-1.215178" z3="-0.141812"></atom>
<atom id="a6" elementType="H" x3="-1.380823" y3="-1.589320" z3="0.863908"></atom>
<atom id="a7" elementType="H" x3="-1.228824" y3="-1.964819" z3="-0.850481"></atom>
<atom id="a8" elementType="H" x3="-2.607474" y3="-1.055362" z3="-0.286795"></atom>
<atom id="a9" elementType="C" x3="-1.559920" y3="1.196656" z3="0.211615"></atom>
<atom id="a10" elementType="H" x3="-1.499564" y3="1.225626" z3="1.300404"></atom>
<atom id="a11" elementType="H" x3="-2.604624" y3="1.120105" z3="-0.056401"></atom>
<atom id="a12" elementType="H" x3="-1.191170" y3="2.130321" z3="-0.185033"></atom>
<atom id="a13" elementType="H" x3="0.558138" y3="0.459192" z3="1.897581"></atom>
<atom id="a14" elementType="O" x3="0.814758" y3="-0.289347" z3="1.343616"></atom>
<atom id="a15" elementType="H" x3="1.480052" y3="-1.948753" z3="-0.107854"></atom>
<atom id="a16" elementType="C" x3="1.262518" y3="1.339644" z3="-0.407934"></atom>
<atom id="a17" elementType="H" x3="2.330828" y3="1.241723" z3="-0.269817"></atom>
<atom id="a18" elementType="H" x3="0.920386" y3="2.143871" z3="0.231288"></atom>
<atom id="a19" elementType="H" x3="1.051565" y3="1.596785" z3="-1.437118"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243909019e+02</scalar>
<scalar title="Time">6.25917</scalar>
<scalar title="Reaction Coordinate">21</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.282349" y3="-1.149461" z3="-0.813471"></atom>
<atom id="a1" elementType="H" x3="0.700475" y3="-1.450479" z3="-1.671364"></atom>
<atom id="a2" elementType="H" x3="2.261827" y3="-0.845277" z3="-1.159053"></atom>
<atom id="a3" elementType="C" x3="0.590782" y3="0.005723" z3="-0.062630"></atom>
<atom id="a4" elementType="N" x3="-0.837687" y3="0.056893" z3="-0.378807"></atom>
<atom id="a5" elementType="C" x3="-1.544937" y3="-1.215775" z3="-0.136332"></atom>
<atom id="a6" elementType="H" x3="-1.398975" y3="-1.574073" z3="0.878389"></atom>
<atom id="a7" elementType="H" x3="-1.205004" y3="-1.973597" z3="-0.826097"></atom>
<atom id="a8" elementType="H" x3="-2.602412" y3="-1.064388" z3="-0.307808"></atom>
<atom id="a9" elementType="C" x3="-1.563714" y3="1.195283" z3="0.209011"></atom>
<atom id="a10" elementType="H" x3="-1.514093" y3="1.221277" z3="1.298533"></atom>
<atom id="a11" elementType="H" x3="-2.605850" y3="1.120249" z3="-0.069622"></atom>
<atom id="a12" elementType="H" x3="-1.190324" y3="2.129569" z3="-0.181588"></atom>
<atom id="a13" elementType="H" x3="0.562123" y3="0.457967" z3="1.897677"></atom>
<atom id="a14" elementType="O" x3="0.819022" y3="-0.289604" z3="1.342443"></atom>
<atom id="a15" elementType="H" x3="1.403631" y3="-1.981475" z3="-0.135076"></atom>
<atom id="a16" elementType="C" x3="1.263996" y3="1.339765" z3="-0.408434"></atom>
<atom id="a17" elementType="H" x3="2.331132" y3="1.242437" z3="-0.261255"></atom>
<atom id="a18" elementType="H" x3="0.916509" y3="2.146394" z3="0.225043"></atom>
<atom id="a19" elementType="H" x3="1.061335" y3="1.593272" z3="-1.440148"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243919381e+02</scalar>
<scalar title="Time">6.55883</scalar>
<scalar title="Reaction Coordinate">22</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.277256" y3="-1.147578" z3="-0.815204"></atom>
<atom id="a1" elementType="H" x3="0.731161" y3="-1.387562" z3="-1.715556"></atom>
<atom id="a2" elementType="H" x3="2.287229" y3="-0.872477" z3="-1.090044"></atom>
<atom id="a3" elementType="C" x3="0.591089" y3="0.006800" z3="-0.062310"></atom>
<atom id="a4" elementType="N" x3="-0.837419" y3="0.056473" z3="-0.377012"></atom>
<atom id="a5" elementType="C" x3="-1.542413" y3="-1.216384" z3="-0.131719"></atom>
<atom id="a6" elementType="H" x3="-1.415862" y3="-1.560381" z3="0.890710"></atom>
<atom id="a7" elementType="H" x3="-1.182719" y3="-1.981108" z3="-0.803730"></atom>
<atom id="a8" elementType="H" x3="-2.596900" y3="-1.073444" z3="-0.327691"></atom>
<atom id="a9" elementType="C" x3="-1.567240" y3="1.193948" z3="0.206846"></atom>
<atom id="a10" elementType="H" x3="-1.526360" y3="1.217734" z3="1.296824"></atom>
<atom id="a11" elementType="H" x3="-2.607125" y3="1.119548" z3="-0.080559"></atom>
<atom id="a12" elementType="H" x3="-1.190533" y3="2.128902" z3="-0.178966"></atom>
<atom id="a13" elementType="H" x3="0.567680" y3="0.457119" z3="1.897988"></atom>
<atom id="a14" elementType="O" x3="0.823257" y3="-0.289989" z3="1.341280"></atom>
<atom id="a15" elementType="H" x3="1.325563" y3="-2.010359" z3="-0.166575"></atom>
<atom id="a16" elementType="C" x3="1.265077" y3="1.339906" z3="-0.409584"></atom>
<atom id="a17" elementType="H" x3="2.331325" y3="1.243348" z3="-0.256072"></atom>
<atom id="a18" elementType="H" x3="0.913902" y3="2.148387" z3="0.219346"></atom>
<atom id="a19" elementType="H" x3="1.068127" y3="1.590329" z3="-1.443175"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243929676e+02</scalar>
<scalar title="Time">6.85829</scalar>
<scalar title="Reaction Coordinate">23</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.272401" y3="-1.145487" z3="-0.816282"></atom>
<atom id="a1" elementType="H" x3="0.768730" y3="-1.324644" z3="-1.755065"></atom>
<atom id="a2" elementType="H" x3="2.307782" y3="-0.903599" z3="-1.017567"></atom>
<atom id="a3" elementType="C" x3="0.591269" y3="0.007867" z3="-0.061835"></atom>
<atom id="a4" elementType="N" x3="-0.837137" y3="0.056074" z3="-0.375097"></atom>
<atom id="a5" elementType="C" x3="-1.540145" y3="-1.216980" z3="-0.127749"></atom>
<atom id="a6" elementType="H" x3="-1.431919" y3="-1.548176" z3="0.901143"></atom>
<atom id="a7" elementType="H" x3="-1.163007" y3="-1.987403" z3="-0.783309"></atom>
<atom id="a8" elementType="H" x3="-2.591343" y3="-1.081997" z3="-0.346286"></atom>
<atom id="a9" elementType="C" x3="-1.570674" y3="1.192633" z3="0.204940"></atom>
<atom id="a10" elementType="H" x3="-1.537492" y3="1.214750" z3="1.295354"></atom>
<atom id="a11" elementType="H" x3="-2.608585" y3="1.118328" z3="-0.089996"></atom>
<atom id="a12" elementType="H" x3="-1.191469" y3="2.128186" z3="-0.176886"></atom>
<atom id="a13" elementType="H" x3="0.574028" y3="0.456154" z3="1.898424"></atom>
<atom id="a14" elementType="O" x3="0.827623" y3="-0.290488" z3="1.340182"></atom>
<atom id="a15" elementType="H" x3="1.247754" y3="-2.034655" z3="-0.203015"></atom>
<atom id="a16" elementType="C" x3="1.265969" y3="1.339911" z3="-0.411334"></atom>
<atom id="a17" elementType="H" x3="2.331679" y3="1.243881" z3="-0.253645"></atom>
<atom id="a18" elementType="H" x3="0.912306" y3="2.150274" z3="0.213868"></atom>
<atom id="a19" elementType="H" x3="1.072734" y3="1.587493" z3="-1.446255"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243939225e+02</scalar>
<scalar title="Time">7.158</scalar>
<scalar title="Reaction Coordinate">24</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.268330" y3="-1.142977" z3="-0.816801"></atom>
<atom id="a1" elementType="H" x3="0.813475" y3="-1.262588" z3="-1.789944"></atom>
<atom id="a2" elementType="H" x3="2.323145" y3="-0.937483" z3="-0.942891"></atom>
<atom id="a3" elementType="C" x3="0.591377" y3="0.008831" z3="-0.061154"></atom>
<atom id="a4" elementType="N" x3="-0.836930" y3="0.055565" z3="-0.372932"></atom>
<atom id="a5" elementType="C" x3="-1.538665" y3="-1.217446" z3="-0.124252"></atom>
<atom id="a6" elementType="H" x3="-1.447603" y3="-1.537452" z3="0.910001"></atom>
<atom id="a7" elementType="H" x3="-1.146832" y3="-1.992914" z3="-0.764844"></atom>
<atom id="a8" elementType="H" x3="-2.586353" y3="-1.089229" z3="-0.363078"></atom>
<atom id="a9" elementType="C" x3="-1.574193" y3="1.191314" z3="0.203124"></atom>
<atom id="a10" elementType="H" x3="-1.548378" y3="1.211957" z3="1.293784"></atom>
<atom id="a11" elementType="H" x3="-2.610050" y3="1.117035" z3="-0.099161"></atom>
<atom id="a12" elementType="H" x3="-1.192518" y3="2.127459" z3="-0.174876"></atom>
<atom id="a13" elementType="H" x3="0.580984" y3="0.455032" z3="1.899331"></atom>
<atom id="a14" elementType="O" x3="0.832287" y3="-0.291135" z3="1.339191"></atom>
<atom id="a15" elementType="H" x3="1.171647" y3="-2.054300" z3="-0.244767"></atom>
<atom id="a16" elementType="C" x3="1.266709" y3="1.339723" z3="-0.413704"></atom>
<atom id="a17" elementType="H" x3="2.332134" y3="1.243867" z3="-0.254156"></atom>
<atom id="a18" elementType="H" x3="0.912178" y3="2.151844" z3="0.208830"></atom>
<atom id="a19" elementType="H" x3="1.075126" y3="1.584824" z3="-1.449531"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243947304e+02</scalar>
<scalar title="Time">7.45732</scalar>
<scalar title="Reaction Coordinate">25</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.265881" y3="-1.139859" z3="-0.817002"></atom>
<atom id="a1" elementType="H" x3="0.867026" y3="-1.201203" z3="-1.819839"></atom>
<atom id="a2" elementType="H" x3="2.333665" y3="-0.972820" z3="-0.865979"></atom>
<atom id="a3" elementType="C" x3="0.591349" y3="0.009497" z3="-0.060235"></atom>
<atom id="a4" elementType="N" x3="-0.836875" y3="0.054742" z3="-0.370407"></atom>
<atom id="a5" elementType="C" x3="-1.538807" y3="-1.217624" z3="-0.120955"></atom>
<atom id="a6" elementType="H" x3="-1.462412" y3="-1.528736" z3="0.917294"></atom>
<atom id="a7" elementType="H" x3="-1.136742" y3="-1.997533" z3="-0.749227"></atom>
<atom id="a8" elementType="H" x3="-2.583083" y3="-1.093832" z3="-0.376412"></atom>
<atom id="a9" elementType="C" x3="-1.577730" y3="1.190053" z3="0.201206"></atom>
<atom id="a10" elementType="H" x3="-1.560457" y3="1.209155" z3="1.292123"></atom>
<atom id="a11" elementType="H" x3="-2.611235" y3="1.116315" z3="-0.109335"></atom>
<atom id="a12" elementType="H" x3="-1.193054" y3="2.126639" z3="-0.172558"></atom>
<atom id="a13" elementType="H" x3="0.587426" y3="0.453181" z3="1.900493"></atom>
<atom id="a14" elementType="O" x3="0.837419" y3="-0.291953" z3="1.338339"></atom>
<atom id="a15" elementType="H" x3="1.100074" y3="-2.069108" z3="-0.292036"></atom>
<atom id="a16" elementType="C" x3="1.267182" y3="1.339234" z3="-0.416710"></atom>
<atom id="a17" elementType="H" x3="2.332726" y3="1.243026" z3="-0.258076"></atom>
<atom id="a18" elementType="H" x3="0.913776" y3="2.153051" z3="0.204311"></atom>
<atom id="a19" elementType="H" x3="1.074700" y3="1.582241" z3="-1.452812"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243953343e+02</scalar>
<scalar title="Time">7.75652</scalar>
<scalar title="Reaction Coordinate">26</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.266646" y3="-1.135890" z3="-0.817117"></atom>
<atom id="a1" elementType="H" x3="0.929426" y3="-1.142243" z3="-1.844432"></atom>
<atom id="a2" elementType="H" x3="2.340286" y3="-1.007267" z3="-0.789018"></atom>
<atom id="a3" elementType="C" x3="0.591294" y3="0.009526" z3="-0.059212"></atom>
<atom id="a4" elementType="N" x3="-0.837170" y3="0.053168" z3="-0.367457"></atom>
<atom id="a5" elementType="C" x3="-1.541763" y3="-1.217290" z3="-0.117255"></atom>
<atom id="a6" elementType="H" x3="-1.476129" y3="-1.522441" z3="0.923631"></atom>
<atom id="a7" elementType="H" x3="-1.135634" y3="-2.001378" z3="-0.737194"></atom>
<atom id="a8" elementType="H" x3="-2.583473" y3="-1.093842" z3="-0.383577"></atom>
<atom id="a9" elementType="C" x3="-1.581043" y3="1.189201" z3="0.198540"></atom>
<atom id="a10" elementType="H" x3="-1.573954" y3="1.206594" z3="1.289690"></atom>
<atom id="a11" elementType="H" x3="-2.611760" y3="1.117631" z3="-0.121960"></atom>
<atom id="a12" elementType="H" x3="-1.191170" y3="2.125740" z3="-0.170038"></atom>
<atom id="a13" elementType="H" x3="0.590780" y3="0.449375" z3="1.902205"></atom>
<atom id="a14" elementType="O" x3="0.843252" y3="-0.293200" z3="1.337668"></atom>
<atom id="a15" elementType="H" x3="1.036524" y3="-2.079123" z3="-0.344759"></atom>
<atom id="a16" elementType="C" x3="1.266787" y3="1.338562" z3="-0.420055"></atom>
<atom id="a17" elementType="H" x3="2.333129" y3="1.241179" z3="-0.267221"></atom>
<atom id="a18" elementType="H" x3="0.917766" y3="2.153387" z3="0.202231"></atom>
<atom id="a19" elementType="H" x3="1.069036" y3="1.580978" z3="-1.455231"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243957027e+02</scalar>
<scalar title="Time">8.0543</scalar>
<scalar title="Reaction Coordinate">27</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.271744" y3="-1.130690" z3="-0.818712"></atom>
<atom id="a1" elementType="H" x3="0.994335" y3="-1.089303" z3="-1.863095"></atom>
<atom id="a2" elementType="H" x3="2.344597" y3="-1.034607" z3="-0.721581"></atom>
<atom id="a3" elementType="C" x3="0.591216" y3="0.008354" z3="-0.058372"></atom>
<atom id="a4" elementType="N" x3="-0.837760" y3="0.050172" z3="-0.364207"></atom>
<atom id="a5" elementType="C" x3="-1.547612" y3="-1.216344" z3="-0.109897"></atom>
<atom id="a6" elementType="H" x3="-1.485600" y3="-1.517475" z3="0.932476"></atom>
<atom id="a7" elementType="H" x3="-1.145107" y3="-2.005187" z3="-0.725972"></atom>
<atom id="a8" elementType="H" x3="-2.588291" y3="-1.089051" z3="-0.378399"></atom>
<atom id="a9" elementType="C" x3="-1.582845" y3="1.190369" z3="0.191816"></atom>
<atom id="a10" elementType="H" x3="-1.589838" y3="1.208503" z3="1.283042"></atom>
<atom id="a11" elementType="H" x3="-2.609666" y3="1.123689" z3="-0.141992"></atom>
<atom id="a12" elementType="H" x3="-1.183852" y3="2.124813" z3="-0.171934"></atom>
<atom id="a13" elementType="H" x3="0.585504" y3="0.439247" z3="1.904780"></atom>
<atom id="a14" elementType="O" x3="0.849246" y3="-0.296765" z3="1.336678"></atom>
<atom id="a15" elementType="H" x3="0.990222" y3="-2.084432" z3="-0.398624"></atom>
<atom id="a16" elementType="C" x3="1.264023" y3="1.338652" z3="-0.421388"></atom>
<atom id="a17" elementType="H" x3="2.332253" y3="1.239200" z3="-0.283966"></atom>
<atom id="a18" elementType="H" x3="0.925045" y3="2.150791" z3="0.209999"></atom>
<atom id="a19" elementType="H" x3="1.052550" y3="1.586420" z3="-1.452559"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243958517e+02</scalar>
<scalar title="Time">8.3446</scalar>
<scalar title="Reaction Coordinate">28</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.275700" y3="-1.124910" z3="-0.825315"></atom>
<atom id="a1" elementType="H" x3="1.018643" y3="-1.062482" z3="-1.873842"></atom>
<atom id="a2" elementType="H" x3="2.347023" y3="-1.039336" z3="-0.705071"></atom>
<atom id="a3" elementType="C" x3="0.591329" y3="0.006880" z3="-0.058204"></atom>
<atom id="a4" elementType="N" x3="-0.837994" y3="0.046863" z3="-0.362546"></atom>
<atom id="a5" elementType="C" x3="-1.550234" y3="-1.215474" z3="-0.095062"></atom>
<atom id="a6" elementType="H" x3="-1.489617" y3="-1.505527" z3="0.950479"></atom>
<atom id="a7" elementType="H" x3="-1.148732" y3="-2.011915" z3="-0.701941"></atom>
<atom id="a8" elementType="H" x3="-2.590440" y3="-1.089235" z3="-0.365884"></atom>
<atom id="a9" elementType="C" x3="-1.582929" y3="1.195001" z3="0.177043"></atom>
<atom id="a10" elementType="H" x3="-1.594307" y3="1.226869" z3="1.268067"></atom>
<atom id="a11" elementType="H" x3="-2.608600" y3="1.126057" z3="-0.159948"></atom>
<atom id="a12" elementType="H" x3="-1.180858" y3="2.124239" z3="-0.196315"></atom>
<atom id="a13" elementType="H" x3="0.575832" y3="0.422011" z3="1.908054"></atom>
<atom id="a14" elementType="O" x3="0.852121" y3="-0.305442" z3="1.334771"></atom>
<atom id="a15" elementType="H" x3="0.978826" y3="-2.084020" z3="-0.429071"></atom>
<atom id="a16" elementType="C" x3="1.260547" y3="1.340917" z3="-0.414532"></atom>
<atom id="a17" elementType="H" x3="2.329987" y3="1.240629" z3="-0.287775"></atom>
<atom id="a18" elementType="H" x3="0.927090" y3="2.146450" z3="0.228205"></atom>
<atom id="a19" elementType="H" x3="1.040055" y3="1.598773" z3="-1.441320"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243958794e+02</scalar>
<scalar title="Time">8.58302</scalar>
<scalar title="Reaction Coordinate">29</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="1.277570" y3="-1.118759" z3="-0.834713"></atom>
<atom id="a1" elementType="H" x3="1.018910" y3="-1.048171" z3="-1.882314"></atom>
<atom id="a2" elementType="H" x3="2.348922" y3="-1.032385" z3="-0.715081"></atom>
<atom id="a3" elementType="C" x3="0.591489" y3="0.005638" z3="-0.058278"></atom>
<atom id="a4" elementType="N" x3="-0.838041" y3="0.043850" z3="-0.361373"></atom>
<atom id="a5" elementType="C" x3="-1.550716" y3="-1.214420" z3="-0.077191"></atom>
<atom id="a6" elementType="H" x3="-1.498202" y3="-1.486073" z3="0.973598"></atom>
<atom id="a7" elementType="H" x3="-1.142671" y3="-2.021014" z3="-0.665879"></atom>
<atom id="a8" elementType="H" x3="-2.588802" y3="-1.094928" z3="-0.359020"></atom>
<atom id="a9" elementType="C" x3="-1.583128" y3="1.200485" z3="0.159113"></atom>
<atom id="a10" elementType="H" x3="-1.591368" y3="1.253713" z3="1.249464"></atom>
<atom id="a11" elementType="H" x3="-2.609761" y3="1.122953" z3="-0.173117"></atom>
<atom id="a12" elementType="H" x3="-1.184165" y3="2.123197" z3="-0.233268"></atom>
<atom id="a13" elementType="H" x3="0.569068" y3="0.403396" z3="1.911300"></atom>
<atom id="a14" elementType="O" x3="0.853779" y3="-0.316312" z3="1.332270"></atom>
<atom id="a15" elementType="H" x3="0.982910" y3="-2.081696" z3="-0.446129"></atom>
<atom id="a16" elementType="C" x3="1.258027" y3="1.343793" z3="-0.403597"></atom>
<atom id="a17" elementType="H" x3="2.327468" y3="1.244185" z3="-0.276445"></atom>
<atom id="a18" elementType="H" x3="0.922235" y3="2.143104" z3="0.245748"></atom>
<atom id="a19" elementType="H" x3="1.038650" y3="1.610087" z3="-1.428558"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a1 a0" order="S"></bond>
<bond id="b1" atomRefs2="a2 a0" order="S"></bond>
<bond id="b2" atomRefs2="a3 a0" order="S"></bond>
<bond id="b3" atomRefs2="a15 a0" order="S"></bond>
<bond id="b4" atomRefs2="a4 a3" order="S"></bond>
<bond id="b5" atomRefs2="a14 a3" order="S"></bond>
<bond id="b6" atomRefs2="a16 a3" order="S"></bond>
<bond id="b7" atomRefs2="a5 a4" order="S"></bond>
<bond id="b8" atomRefs2="a9 a4" order="S"></bond>
<bond id="b9" atomRefs2="a6 a5" order="S"></bond>
<bond id="b10" atomRefs2="a7 a5" order="S"></bond>
<bond id="b11" atomRefs2="a8 a5" order="S"></bond>
<bond id="b12" atomRefs2="a10 a9" order="S"></bond>
<bond id="b13" atomRefs2="a11 a9" order="S"></bond>
<bond id="b14" atomRefs2="a12 a9" order="S"></bond>
<bond id="b15" atomRefs2="a14 a13" order="S"></bond>
<bond id="b16" atomRefs2="a17 a16" order="S"></bond>
<bond id="b17" atomRefs2="a18 a16" order="S"></bond>
<bond id="b18" atomRefs2="a19 a16" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="1"></atom>
<atom id="a2" coordinationNumber="1"></atom>
<atom id="a3" coordinationNumber="4"></atom>
<atom id="a4" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="1"></atom>
<atom id="a9" coordinationNumber="4"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="1"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a15" coordinationNumber="1"></atom>
<atom id="a16" coordinationNumber="4"></atom>
<atom id="a17" coordinationNumber="1"></atom>
<atom id="a18" coordinationNumber="1"></atom>
<atom id="a19" coordinationNumber="1"></atom>
</atomArray>
<scalar title="Energy">-3.243958940e+02</scalar>
<scalar title="Time">8.85389</scalar>
<scalar title="Reaction Coordinate">30</scalar>
</list>
</molecule>
</cml>
